PDB entry 4gp6



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 43.690 Åb: 71.560 Åc: 118.610 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 22174Test set: 1743 (7.9%)
Resolution range37.29 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.17700.18530.18100.1799
R-free0.22800.23000.21390.2151
σR-free 0.00390.00360.0036
R-free Z-score 2.035.114.39

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality11.1911.1931.234
2nd generation packing quality1-0.159-0.0090.122
Ramachandran plot appearance1-0.345-0.0470.012
Chi-1/Chi-2 rotamer normality1-0.480-0.422-0.287
Backbone conformation10.7250.7350.797
Bond length RMS Z-score20.3030.4210.409
Bond angle RMS Z-score20.5430.6800.665
Total number of bumps3522926
Unsatisfied H-bond donors/acceptors381113
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 residues211
Significantly deteriorated residues23
Changes of all residuesPlot Plot

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