Appendix C: Test output from CCP4 TRUNCATE
data_phosphate_binding_protein[A197C_chromophore]
_entry.id phosphate_binding_protein
_diffrn.id A197C_chromophore
_audit.creation_date 1997-10-30T12:29:44+00:00
_software.classification 'data reduction'
_software.contact_author 'K.S. Wilson and S. French'
_software.contact_author_email ccp4@dl.ac.uk
_software.description 'calculates a best estimate of scaled F from I & sd(I)'
_software.name truncate
_software.version 'CCP4_3.1 of 1994/10/14'
_Symmetry.Int_Tables_number 19
_Symmetry.space_group_name_H-M 'P 21 21 21'
loop_
_Symmetry_equiv.id
_Symmetry_equiv.pos_as_xyz
1 X,Y,Z
2 1/2-X,-Y,1/2+Z
3 -X,1/2+Y,1/2-Z
4 1/2+X,1/2-Y,-Z
_cell.length_a 41.498
_cell.length_b 62.651
_cell.length_c 122.608
_cell.angle_alpha 90.000
_cell.angle_beta 90.000
_cell.angle_gamma 90.000
_exptl_crystal.ebi_percent_solvent 36.6
loop_
_EBI_refln_sys_abs.h
_EBI_refln_sys_abs.k
_EBI_refln_sys_abs.l
_EBI_refln_sys_abs.I
_ebi_refln_sys_abs.sigmaI
_EBI_refln_sys_abs.I_over_sigmaI
0 0 11 18.38 11.51 1.6
0 0 13 11.34 8.10 1.4
0 0 15 16.65 11.58 1.4
0 0 17 24.96 12.75 2.0
0 0 19 25.10 15.91 1.6
0 0 21 21.69 14.68 1.5
0 0 23 26.87 15.18 1.8
0 0 25 26.56 16.81 1.6
0 0 27 29.15 15.40 1.9
0 0 29 36.38 20.29 1.8
0 0 31 21.49 15.24 1.4
0 0 33 17.02 12.20 1.4
0 0 35 28.81 19.49 1.5
0 0 37 21.69 15.07 1.4
0 0 39 39.58 23.58 1.7
0 0 41 26.03 18.06 1.4
0 0 43 41.00 20.78 2.0
0 0 45 37.05 22.21 1.7
0 0 47 15.26 11.05 1.4
0 0 49 28.91 19.04 1.5
0 0 51 28.85 19.19 1.5
0 0 53 26.43 17.40 1.5
0 0 55 31.83 20.91 1.5
0 0 57 25.43 16.45 1.5
0 0 59 43.64 24.85 1.8
0 0 61 34.33 21.95 1.6
0 0 63 62.30 24.39 2.6
0 0 65 47.80 29.28 1.6
0 0 67 29.38 18.95 1.5
0 0 69 51.97 29.89 1.7
0 0 71 33.55 22.98 1.5
0 0 75 38.42 24.92 1.5
0 7 0 28.18 10.55 2.7
0 9 0 19.43 11.95 1.6
0 11 0 30.87 18.25 1.7
0 13 0 34.42 21.67 1.6
0 15 0 20.14 14.07 1.4
0 17 0 72.32 38.03 1.9
0 21 0 28.03 19.10 1.5
0 29 0 58.26 25.42 2.3
5 0 0 20.02 12.25 1.6
7 0 0 16.40 10.70 1.5
9 0 0 27.71 15.81 1.8
15 0 0 22.83 15.35 1.5
19 0 0 29.85 18.87 1.6
21 0 0 29.12 17.76 1.6
loop_
_EBI_reflns_intensity_shell.Z
_EBI_reflns_intensity_shell.NZ_acentric_theory
_EBI_reflns_intensity_shell.NZ_acentric_observed
_EBI_reflns_intensity_shell.NZ_centric_theory
_EBI_reflns_intensity_shell.NZ_centric_observed
0.10 9.5 9.9 24.8 23.8
0.20 18.1 17.7 34.5 33.9
0.30 25.9 25.3 41.6 40.4
0.40 33.0 32.2 47.3 46.5
0.50 39.3 38.6 52.1 51.4
0.60 45.1 44.5 56.1 56.3
0.70 50.3 49.7 59.7 59.6
0.80 55.1 54.5 62.9 62.3
0.90 59.3 58.8 65.7 65.6
1.00 63.2 62.8 68.3 68.1
loop_
_EBI_tmp_reflns_scaling_shell.d_res_high
_EBI_tmp_reflns_scaling_shell.d_res_low
_EBI_tmp_reflns_scaling_shell.num_reflns_observed
_EBI_tmp_reflns_scaling_shell.mean_obs
_EBI_tmp_reflns_scaling_shell.mean_obs
8.66 12.00 197 23.37 46.67
7.12 8.66 245 24.07 48.07
6.19 7.12 279 21.69 43.30
5.54 6.19 318 22.35 44.68
5.07 5.54 345 22.68 45.26
4.70 5.07 360 22.88 45.68
4.40 4.70 391 24.57 49.08
4.15 4.40 403 24.48 48.87
3.94 4.15 440 24.09 48.11
3.76 3.94 459 24.29 48.49
3.60 3.76 474 22.87 45.66
3.46 3.60 485 22.79 45.50
3.33 3.46 521 21.60 43.14
3.22 3.33 505 21.37 42.66
3.12 3.22 543 19.64 39.21
3.03 3.12 534 19.12 38.14
2.94 3.03 564 18.70 37.34
2.86 2.94 584 18.02 36.00
2.79 2.86 584 17.49 34.94
2.72 2.79 602 17.61 35.13
2.66 2.72 611 16.12 32.17
2.60 2.66 617 15.77 31.51
2.55 2.60 651 15.53 31.00
2.50 2.55 651 15.52 30.96
2.45 2.50 664 15.00 29.94
2.40 2.45 678 14.54 29.03
2.36 2.40 694 14.15 28.28
2.32 2.36 678 13.74 27.45
2.28 2.32 709 13.38 26.72
2.24 2.28 725 13.36 26.71
2.21 2.24 710 13.24 26.38
2.17 2.21 740 12.28 24.51
2.14 2.17 775 12.45 24.85
2.11 2.14 735 12.18 24.33
2.08 2.11 732 11.37 22.69
2.05 2.08 798 11.27 22.46
2.03 2.05 771 11.06 22.04
2.00 2.03 789 10.31 20.56
1.98 2.00 776 9.74 19.49
1.95 1.98 830 9.87 19.64
1.93 1.95 800 9.17 18.32
1.91 1.93 828 9.11 18.19
1.88 1.91 801 8.37 16.72
1.86 1.88 856 7.88 15.77
1.84 1.86 844 7.37 14.74
1.82 1.84 840 6.85 13.68
1.80 1.82 858 6.79 13.55
1.78 1.80 867 6.10 12.23
1.77 1.78 885 5.95 11.90
1.75 1.77 890 5.29 10.57
1.73 1.75 886 5.31 10.62
1.72 1.73 938 5.15 10.20
1.70 1.72 900 4.67 9.37
1.68 1.70 952 4.55 9.13
1.67 1.68 918 4.39 8.83
1.66 1.67 926 4.41 8.83
1.64 1.66 971 4.06 8.17
1.63 1.64 954 4.05 8.03
1.61 1.63 976 2.92 6.43
1.60 1.61 886 3.75 7.37
_reflns.entry_id phosphate_binding_protein
_reflns.d_resolution_high 1.60
_reflns.d_resolution_low 12.00
_reflns.observed_criterion
'reject either I<-3.7*sigmaI or I<(sigmaI)**2/MeanI-4.0*sigmaI'
_reflns.B_iso_Wilson_estimate 11.95689
_reflns.ebi_mean_obs_all 11.58
_reflns.ebi_mean_obs_all 23.13
_reflns.number_obs 40943
Back to Data Harvesting