DL/SCI/R33

MOLECULAR REPLACEMENT

February, 1992

 

Introduction

(v)

Invited Speakers’ Contributions

Detecting Structural Similarity from Protein Sequence Comparison

G.J. Barton, University of Oxford

1

Molecular Replacement

P. Fitzgerald, Merck Sharp and Dohme

9

Fast Fourier Translation Functions

I.J. Tickle Birkbeck, Birkbeck College

20

Molecular Replacement Real Space Averaging

M.G. Rossmann, R. McKenna, Liang Tong, Di Xia, Jin-Bi Dai, Hao Wu, Hok-Kin Choi, D. Marinescu, R.E. Lynch

33

Molecular replacement with X-PLOR: PC-refinement and free R value

A.T. Brünger, Yale University

49

A Statistical Formulation of the Molecular Replacement and Molecular Averaging Methods

G. Bricogne, MRC Cambridge and L.U.R.E. Paris

62

Automated Refinement Procedure

V.S. Lamzin, K.S. Wilson, EMBL Hamburg

76

From the Molecular Replacement Solution to the Refined Structure

E.J. Dodson, York University

84

AMoRe: A New Package for Molecular Replacement

J. Navaza, CNRS Paris

87

a. yaap. asap, @#*?

A Set of Averaging Programs

T.A. Jones, Uppsala University

91

Experiences with Molecular Replacement in the Case of Antithrombin III: the Combination of Different Starting Models and Exploration of the Power of a "Cross Translation Function"

H.A. Schreuder, B. de Boer, T.K. Sixma, A.V. Tepliakov, A. Aguirre, W.G.J. Hol, University of Groningen and EMBL Hamburg

106

Molecular Replacement Studies of a momorcharin

J. Ren, Y. Wang, Y. Dong, D. Stuart, Oxford University

116

Phase Extension from a Crude Model. The Structure Determination of Bacteriophage MS2

L. Liljas, K. Valegård, Uppsala University

124

The Porins: Structural Homology Established by Molecular Replacement

R. Pauptit, ICI Pharmaceuticals

131

Use of Molecular Replacement in the Structure Determination of a - Lactalbumins

K.R. Acharya

140

Molecular Replacement Studies of a Ternary Complex of an Allosteric Lactate Dehydrogenase from Bacillus stearothermophilus

D.B. Wigley, University of York

145

Some Applications of the Phased Translation Function Using Calculated Phases

G.A. Bentley, Institute Pasteur

154

Molecular Replacement Studies at EMBL Hamburg

Z. Dauter, EMBL Hamburg

163

Two Examples of Molecular Replacement with X-PLOR

L. Brady, Jiang Jian-sheng

170

General Discussion

178