Optimised PDB entry 1rz8



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 63.212 Åb: 117.460 Åc: 154.813 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 54548Test set: 5529 (10.1%)
Resolution range19.99 Å2.20 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21200.22250.20370.2020
R-free0.26200.26750.24620.2437
σR-free 0.00360.00330.0033
Z(R-free) 4.834.424.52

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1850.4090.412
2nd generation packing quality1-0.0280.3660.512
Ramachandran plot appearance1-1.651-0.381-0.364
Chi-1/Chi-2 rotamer normality1-3.144-3.103-2.956
Backbone conformation10.8240.9300.910
Bond length RMS Z-score20.2910.5410.540
Bond angle RMS Z-score20.6300.7650.761
Total number of bumps31362734
Unsatisfied H-bond donors/acceptors3556757
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 residues52
Significantly deteriorated residues0
Changes of all residuesPlot

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