PDB entry 4brh



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 62.435 Åb: 85.759 Åc: 72.306 Å
α: 90.00°β: 106.44°γ: 90.00°
Resolution1.69 Å

Experimental data
ReflectionsAll: 80259Test set: 1175 (1.5%)
Resolution range29.03 Å1.69 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.15940.15270.14850.1469
R-free0.19190.17970.17720.1782
σR-free 0.00520.00520.0052
R-free Z-score 0.21-0.27-0.83

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.1850.1570.146
2nd generation packing quality1-1.426-1.488-1.499
Ramachandran plot appearance1-0.126-0.080-0.066
Chi-1/Chi-2 rotamer normality1-0.919-0.691-0.202
Backbone conformation1-0.055-0.095-0.102
Bond length RMS Z-score20.8100.9300.887
Bond angle RMS Z-score20.9200.9690.929
Total number of bumps3464447
Unsatisfied H-bond donors/acceptors3326941
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 residues3318
Significantly deteriorated residues45
Changes of all residuesPlot Plot

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