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
R0.20100.26820.18540.1881
R-free0.25100.30730.22930.2336
σR-free 0.00380.00290.0029
Z(R-free) 7.661.100.79

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1040.2050.183
2nd generation packing quality10.1720.4930.559
Ramachandran plot appearance1-1.0600.2820.255
Chi-1/Chi-2 rotamer normality1-2.381-1.939-2.004
Backbone conformation10.9430.8740.954
Bond length RMS Z-score20.2650.5500.547
Bond angle RMS Z-score20.6220.7730.753
Total number of bumps3992625
Unsatisfied H-bond donors/acceptors3494040
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 residues62
Significantly deteriorated residues6
Changes of all residuesPlot

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