Optimised PDB entry 2icw



Warnings!

Structure
SpacegroupP 1
Cell dimensionsa: 61.516 Åb: 86.822 Åc: 116.981 Å
α: 110.27°β: 92.32°γ: 107.87°
Resolution2.41 Å

Experimental data
ReflectionsAll: 78299Test set: 3944 (5.0%)
Resolution range47.79 Å2.41 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.24200.24250.21200.2102
R-free0.28800.28630.24910.2463
σR-free 0.00460.00400.0039
Z(R-free) 8.508.859.18

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.0880.2920.292
2nd generation packing quality1-1.163-0.634-0.458
Ramachandran plot appearance1-2.940-0.915-0.841
Chi-1/Chi-2 rotamer normality1-4.570-3.826-2.840
Backbone conformation10.1090.2390.185
Bond length RMS Z-score20.3290.4310.442
Bond angle RMS Z-score20.6130.6900.690
Total number of bumps335210189
Unsatisfied H-bond donors/acceptors3140109121
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 residues577
Significantly deteriorated residues13
Changes of all residuesPlot

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