Optimised PDB entry 2hwo



Structure
SpacegroupP 1
Cell dimensionsa: 42.099 Åb: 63.255 Åc: 73.799 Å
α: 78.73°β: 88.04°γ: 89.95°
Resolution2.50 Å

Experimental data
ReflectionsAll: 25355Test set: 1278 (5.0%)
Resolution range43.11 Å2.49 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.23500.23560.21360.2111
R-free0.29200.28350.24630.2410
σR-free 0.00790.00690.0067
Z(R-free) 3.044.715.15

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1NANA-1.876
2nd generation packing quality1NANA-0.366
Ramachandran plot appearance1-3.395-1.664-1.522
Chi-1/Chi-2 rotamer normality1-4.755-3.342-3.054
Backbone conformation1-1.142-0.993-1.019
Bond length RMS Z-score20.7000.8350.627
Bond angle RMS Z-score20.8060.9510.842
Total number of bumps3684339
Unsatisfied H-bond donors/acceptors3302023
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues65
Significantly deteriorated residues1
Changes of all residuesPlot

Download

Links