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 conservative optimisationAfter full optimisation
R0.19400.19530.17440.1752
R-free0.23900.18470.21660.2205
σR-free 0.00480.00570.0058
R-free Z-score 12.500.33-0.17

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.1920.1420.070
2nd generation packing quality1-0.871-1.029-1.013
Ramachandran plot appearance10.8000.8311.005
Chi-1/Chi-2 rotamer normality11.041-0.722-0.338
Backbone conformation10.9261.1350.949
Bond length RMS Z-score20.2340.6640.650
Bond angle RMS Z-score20.5050.8330.831
Total number of bumps3131117
Unsatisfied H-bond donors/acceptors3477
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 residues47
Significantly deteriorated residues02
Changes of all residuesPlot Plot

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