Optimised PDB entry 3v7a



Structure
SpacegroupP 43 2 2
Cell dimensionsa: 145.480 Åb: 145.480 Åc: 216.334 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.30 Å

Experimental data
ReflectionsAll: 30923Test set: 1536 (5.0%)
Resolution range31.54 Å3.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.22700.23480.23470.2454
R-free0.28300.28840.27960.2800
σR-free 0.00740.00710.0071
Z(R-free) -0.890.282.04

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-1.191-0.814-0.781
2nd generation packing quality1-0.5600.0910.187
Ramachandran plot appearance1-3.335-2.357-2.215
Chi-1/Chi-2 rotamer normality1-4.684-4.413-3.886
Backbone conformation10.5640.4090.516
Bond length RMS Z-score20.2130.4580.374
Bond angle RMS Z-score20.4330.6810.595
Total number of bumps31834527
Unsatisfied H-bond donors/acceptors3152115108
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 residues17
Significantly deteriorated residues23
Changes of all residuesPlot

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