Optimised PDB entry 1jwm



Structure
SpacegroupH 3
Cell dimensionsa: 171.695 Åb: 171.695 Åc: 120.796 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 32856Test set: 1646 (5.0%)
Resolution range19.72 Å2.70 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19200.21310.18280.1804
R-free0.22800.25160.21680.2157
σR-free 0.00620.00530.0053
Z(R-free) 0.660.490.15

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.414-0.260-0.246
2nd generation packing quality1-1.866-1.547-1.357
Ramachandran plot appearance1-2.942-1.085-1.262
Chi-1/Chi-2 rotamer normality1-4.250-3.644-3.415
Backbone conformation1-0.379-0.237-0.229
Bond length RMS Z-score20.3330.5140.505
Bond angle RMS Z-score20.6620.7810.757
Total number of bumps31213532
Unsatisfied H-bond donors/acceptors3383731
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 residues106
Significantly deteriorated residues0
Changes of all residuesPlot

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