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 conservative optimisationAfter full optimisation
R0.20100.19970.18280.1859
R-free0.25100.24730.22670.2323
σR-free 0.00220.00200.0021
R-free Z-score 1.451.300.43

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.1400.1970.198
2nd generation packing quality1-0.465-0.178-0.021
Ramachandran plot appearance1-1.137-0.0710.011
Chi-1/Chi-2 rotamer normality1-1.721-1.331-1.426
Backbone conformation10.7480.8370.800
Bond length RMS Z-score20.2650.4540.461
Bond angle RMS Z-score20.6220.6530.658
Total number of bumps31417456
Unsatisfied H-bond donors/acceptors3423134
Full WHAT_CHECK reportsLink LinkLink

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

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues12640
Significantly deteriorated residues515
Changes of all residuesPlot Plot

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