PDB entry 4g0w



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 80.662 Åb: 176.424 Åc: 93.635 Å
α: 90.00°β: 112.04°γ: 90.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 65912Test set: 3341 (5.1%)
Resolution range29.42 Å2.70 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.16500.17210.17240.1740
R-free0.21500.21750.20330.2060
σR-free 0.00380.00350.0036
R-free Z-score -2.891.030.78

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.1290.0440.048
2nd generation packing quality1-0.1120.1550.187
Ramachandran plot appearance1-1.681-0.758-0.787
Chi-1/Chi-2 rotamer normality1-2.251-1.171-1.032
Backbone conformation10.3290.3710.222
Bond length RMS Z-score20.4240.4460.457
Bond angle RMS Z-score20.7250.6830.679
Total number of bumps3174178170
Unsatisfied H-bond donors/acceptors3725763
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 residues2426
Significantly deteriorated residues711
Changes of all residuesPlot Plot

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