Optimised PDB entry 4j3e



Warnings!

Structure
SpacegroupC 2 2 21
Cell dimensionsa: 42.887 Åb: 67.657 Åc: 67.173 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.91 Å

Experimental data
ReflectionsAll: 7488Test set: 0 (0.0%)
Resolution range24.63 Å1.91 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.19400.19300.18580.1827
R-free0.23900.19900.22570.2230
σR-free 0.00750.00850.0084
Z(R-free) 5.680.810.68

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.1920.1150.121
2nd generation packing quality1-0.776-0.773-0.751
Ramachandran plot appearance10.5241.0371.171
Chi-1/Chi-2 rotamer normality10.199-1.109-0.233
Backbone conformation1-0.472-0.550-0.549
Bond length RMS Z-score20.2340.4140.406
Bond angle RMS Z-score20.5050.6740.672
Total number of bumps31054
Unsatisfied H-bond donors/acceptors3322
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 residues2
Significantly deteriorated residues0
Changes of all residuesPlot

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