autoBUSTER Example Application: basic NCS setup


Background

Starting Files

Initial runs, control and -autoncs_noprune

Initial Results

firefox ab_runs/1osgBasicNCS_002_autoncs_initial_2009_result/01-BUSTER/Cycle-1/LIST.html
structure Rwork/Rfree MolProbity Ramachandran favored MolProbity score
pdb# 0.1845/0.2427 94.52% 2.81
001_control_noncs 0.1690/0.2469 95.39% 2.59
002_autoncs_initial 0.1839/0.2243 96.49% 2.22

Follow on run - with pruning

Follow on results

structure Rwork/Rfree MolProbity Ramachandran favored MolProbity score
pdb# 0.1845/0.2427 94.52% 2.81
001_control_noncs 0.1690/0.2469 95.39% 2.59
002_autoncs_initial 0.1839/0.2243 96.49% 2.22
003_followon 0.1808/0.2234 96.38% 2.23

Model improvement from the results of these runs.

Result pdb and mtz files for each run

job pdb file mtz file
1osgBasicNCS_000_control_pdb_refine_justB_2009 1osgBasicNCS_000_control_pdb_refine_justB_2009_refine.pdb 1osgBasicNCS_000_control_pdb_refine_justB_2009_refine.mtz
1osgBasicNCS_001_control_noncs_2009 1osgBasicNCS_001_control_noncs_2009_refine.pdb 1osgBasicNCS_001_control_noncs_2009_refine.mtz
1osgBasicNCS_002_autoncs_initial_2009 1osgBasicNCS_002_autoncs_initial_2009_refine.pdb 1osgBasicNCS_002_autoncs_initial_2009_refine.mtz
1osgBasicNCS_003_autoncs_followon_2009 1osgBasicNCS_003_autoncs_followon_2009_refine.pdb 1osgBasicNCS_003_autoncs_followon_2009_refine.mtz

Page by Oliver Smart original version 2 May 2008. Revised for 2009 release with improved geometry function 20 July 2009. Address problems, corrections and clarifications to buster-develop@globalphasing.com