PDB entry 2gh5



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 84.700 Åb: 63.600 Åc: 103.990 Å
α: 90.00°β: 101.12°γ: 90.00°
Resolution1.70 Å

Experimental data
ReflectionsAll: 118140Test set: 5908 (5.0%)
Resolution range19.74 Å1.70 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.22400.22110.17860.1752
R-free0.25600.25080.21190.2054
σR-free 0.00330.00280.0027
R-free Z-score 2.00-1.43-0.52

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.2230.2930.401
2nd generation packing quality1-1.557-1.380-1.029
Ramachandran plot appearance1-0.5920.4120.527
Chi-1/Chi-2 rotamer normality1-1.039-0.862-0.421
Backbone conformation10.0160.0050.032
Bond length RMS Z-score20.2640.7660.731
Bond angle RMS Z-score20.5900.8650.848
Total number of bumps38710764
Unsatisfied H-bond donors/acceptors3376560
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 residues537384
Significantly deteriorated residues05
Changes of all residuesPlot Plot

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