DL/SCI/R35

FROM FIRST MAP TO FINAL MODEL

January, 1994

 

Introduction

Acknowledgements

Invited Speakers’ Contributions

Making the first trace with O

T.A. Jones, Uppsala and M. Kjeldgaard, Aarhus

1

A semi-automated map fitting procedure

T.J. Oldfield, York

15

The right model?

M.J. Adams and S. Gover, Oxford

19

Model bias and phase combination

R. Read

31

Entropy maximisation, permutation and likelihood scoring methods for improving macromolecular electron density maps

C.W. Carter, Jr., Chapel Hill

41

Halloween … Masks and Bones

G.J. Kleywegt and T.A. Jones, Uppsala

59

Use of free R-factor as a guide in parameter optimisation for density modification

J. Grimes and D. Stuart

67

From a poor MIRAS-map to a final structure: importance of 2-fold averaging in the structure determination of thiolase

M. Mathieu and R.K. Wierenga, Heidelberg

77

Protein models: past progress and future possibilities

L.H. Jensen, Seattle

85

Using the MIRmodelmask procedure to improve map interpretability and reduce model bias in the structure determination of the HIV-1 RT/DNA/Fab complex

E. Arnold, CABM and Rutgers

95

Determination of the structure of Bacillus subtilis pectate lyase

R. Pickersgill, G. Harris and J. Jenkins, Reading

103

Methods of minimisation and their implications

D.E. Tronrud, Oregan

111

A generalised approach to the fitting of non-peptide electron density

P.M.D. Fitzgerald, Merck

125

Analysis of water structure

Hugh Savage, York

133

Protein refinement at atomic resolution

K.S. Wilson, Hamburg

141

Evaluation of protein coordinate data sets

R.A. Laskowski, M.W. MacArthur and J.M. Thornton, University College, London

149