Optimised PDB entry 4hma



Structure
SpacegroupP 21 21 2
Cell dimensionsa: 73.870 Åb: 98.240 Åc: 47.440 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.94 Å

Experimental data
ReflectionsAll: 26014Test set: 1301 (5.0%)
Resolution range42.72 Å1.94 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.21100.21830.20600.2064
R-free0.28300.29470.26280.2622
σR-free 0.00820.00730.0073
Z(R-free) -2.70-0.77-0.62

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-2.007-1.997-2.006
2nd generation packing quality1-2.831-2.627-2.522
Ramachandran plot appearance1-0.521-0.084-0.284
Chi-1/Chi-2 rotamer normality1-2.286-1.065-0.418
Backbone conformation1-0.963-0.985-0.982
Bond length RMS Z-score20.9120.9990.968
Bond angle RMS Z-score20.9231.0060.976
Total number of bumps315510
Unsatisfied H-bond donors/acceptors3252326
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 residues14
Significantly deteriorated residues3
Changes of all residuesPlot

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