PDB entry 4e41



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 126.133 Åb: 175.611 Åc: 88.646 Å
α: 90.00°β: 110.75°γ: 90.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 61647Test set: 3102 (5.0%)
Resolution range27.35 Å2.41 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19700.20870.18280.1915
R-free0.26400.26620.22900.2235
σR-free 0.00340.00290.0028
R-free Z-score 9.2410.9317.71

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.1390.2400.269
2nd generation packing quality1-1.190-0.877-0.816
Ramachandran plot appearance1-0.882-0.1950.056
Chi-1/Chi-2 rotamer normality1-3.294-2.155-1.310
Backbone conformation10.0250.2170.201
Bond length RMS Z-score20.5680.4140.292
Bond angle RMS Z-score20.7150.6680.551
Total number of bumps317510071
Unsatisfied H-bond donors/acceptors3104104110
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 residues6030
Significantly deteriorated residues410
Changes of all residuesPlot Plot

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