Optimised PDB entry 1rzg



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 63.088 Åb: 89.313 Åc: 85.863 Å
α: 90.00°β: 110.31°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 62979Test set: 6395 (10.2%)
Resolution range27.53 Å1.88 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20100.26790.18050.1817
R-free0.25100.30730.22420.2275
σR-free 0.00380.00280.0028
Z(R-free) 7.550.790.14

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1400.1880.180
2nd generation packing quality10.2460.5320.643
Ramachandran plot appearance1-1.0760.2630.228
Chi-1/Chi-2 rotamer normality1-2.151-1.711-1.902
Backbone conformation11.1591.2361.270
Bond length RMS Z-score20.2650.5370.540
Bond angle RMS Z-score20.6220.7400.740
Total number of bumps3992431
Unsatisfied H-bond donors/acceptors3474446
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 residues133
Significantly deteriorated residues2
Changes of all residuesPlot

Download

Links