Report on BUSTER refinement run in directory 1pmq_10_improvedANP_final2

Refinement vital statistics
initial final
Ncycles big 0 3
Ncycles small 0 88
X-ray weight 5.43 5.78
Rwork 0.2172 0.1997
Rfree 0.2341 0.2258
100*(Rfree-Rwork) 1.7% 2.6%
(cumulative Log-Likelihood Gain, working set)
0 0.1135
(cumulative Log-Likelihood Gain, free set)
0 -0.0274
RMS bond in Å 0.0096 0.0098
RMS angle in degrees 1.01 0.99
High resolution limit in Å 2.10 2.10
Low resolution limit in Å 16.94 16.94
Number of waters 67 67
help? see BUSTER wiki Refinement vital statistics

Graph of R/Rfree against cycle of refinement


reciprocal space correlation coefficient plots
mtv svg agr png pdf
mtv svg agr png pdf
help? see BUSTER wiki interpreting reciprocal-space CC plots

Run conditions
refine command /mnt/public/xtal/Server-nightly-beta-consortium-linux64/autoBUSTER/bin/linux64/refine -p 1pmq_09_final1-report/1pmq_09_final1.pdb -m dataAnsisotropyServer.mtz -l 880_cation.grade.cif -Gelly 03_occupancy_refine.Gelly -M TLSbasic -nbig 3 -d /scratch/osmart/2015/11/./1pmq_10_improvedANP_final2
BUSTER version, run at, by user 2.11.6, Mon Mar 9 12:17:07 GMT 2015, osmart
in directory /home/osmart/2014/11/1pmq_rerefine
nthreads, hostname, OS 6, hypatia, Ubuntu precise (12.04.5 LTS)
buster-report command /home/osmart/autobuster/Server/scripts/buster-report -d 1pmq_10_improvedANP_final2 -dr 1pmq_10_improvedANP_final2-report
buster-report version, run at, by user 1.1.4 <July 25 2015>, Sat Jul 25 19:41:10 2015, osmart
buster-report run on refine directory /home/osmart/2014/11/1pmq_rerefine/1pmq_10_improvedANP_final2
buster-report output directory /home/osmart/2014/11/1pmq_rerefine/1pmq_10_improvedANP_final2-report
final pdb coordinates 1pmq_10_improvedANP_final2-report.pdb
final mtzfile 1pmq_10_improvedANP_final2-report.mtz
this report pdf version report.pdf
this report tsv version report.tsv
this report xml version report.xml
help? see BUSTER wiki Run conditions table
Main X-ray Ligand analysis Geometry details Refinement progress Real-space correlation coefficients MolProbity analysis