PDB entry 4mjq



Structure
SpacegroupP 1
Cell dimensionsa: 40.993 Åb: 65.512 Åc: 73.438 Å
α: 73.03°β: 85.29°γ: 85.65°
Resolution1.73 Å

Experimental data
ReflectionsAll: 71160Test set: 3552 (5.0%)
Resolution range27.98 Å1.73 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18500.18570.17520.1779
R-free0.21800.21860.21380.2173
σR-free 0.00370.00360.0036
R-free Z-score 1.19-0.94-1.03

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality11.0521.1010.988
2nd generation packing quality1-0.898-0.882-0.628
Ramachandran plot appearance10.0520.0750.097
Chi-1/Chi-2 rotamer normality1-1.211-1.194-0.938
Backbone conformation10.1480.1940.166
Bond length RMS Z-score20.4000.6340.660
Bond angle RMS Z-score20.6500.8120.828
Total number of bumps3505940
Unsatisfied H-bond donors/acceptors3193836
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues12942
Significantly deteriorated residues015
Changes of all residuesPlot Plot

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