Optimised PDB entry 2gh5



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 84.700 Åb: 63.600 Åc: 103.990 Å
α: 90.00°β: 101.12°γ: 90.00°
Resolution1.70 Å

Experimental data
ReflectionsAll: 118140Test set: 5908 (5.0%)
Resolution range19.74 Å1.70 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22400.21950.18610.1810
R-free0.25600.25070.21420.2096
σR-free 0.00330.00280.0027
Z(R-free) 1.450.890.41

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.2230.3180.399
2nd generation packing quality1-1.981-1.687-1.502
Ramachandran plot appearance1-0.8340.3380.462
Chi-1/Chi-2 rotamer normality1-1.586-1.175-0.820
Backbone conformation1-0.551-0.511-0.488
Bond length RMS Z-score20.2640.5670.553
Bond angle RMS Z-score20.5900.7690.753
Total number of bumps3653630
Unsatisfied H-bond donors/acceptors3384137
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 residues395
Significantly deteriorated residues1
Changes of all residuesPlot

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