Optimised PDB entry 2g9h



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 150.395 Åb: 99.933 Åc: 72.917 Å
α: 90.00°β: 92.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 72140Test set: 2949 (4.1%)
Resolution range29.78 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21300.23690.20040.2039
R-free0.25200.27000.23560.2329
σR-free 0.00500.00430.0043
Z(R-free) 1.64-0.071.53

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.052-0.013-0.012
2nd generation packing quality1-1.228-1.310-1.184
Ramachandran plot appearance1-0.264-0.376-0.032
Chi-1/Chi-2 rotamer normality1-3.433-3.008-2.084
Backbone conformation10.4150.2950.354
Bond length RMS Z-score20.5360.7420.505
Bond angle RMS Z-score20.7210.8910.729
Total number of bumps3493935
Unsatisfied H-bond donors/acceptors3182021
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 residues184
Significantly deteriorated residues0
Changes of all residuesPlot

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