PDB entry 1jwm



Structure
SpacegroupH 3
Cell dimensionsa: 171.695 Åb: 171.695 Åc: 120.796 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 32856Test set: 1646 (5.0%)
Resolution range19.72 Å2.70 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19200.21500.18500.1820
R-free0.22800.25330.21910.2161
σR-free 0.00440.00380.0038
R-free Z-score 1.070.760.61

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.315-0.194-0.102
2nd generation packing quality1-1.605-1.312-1.229
Ramachandran plot appearance1-2.618-1.273-1.179
Chi-1/Chi-2 rotamer normality1-3.021-2.458-2.192
Backbone conformation10.1740.2130.279
Bond length RMS Z-score20.3330.4360.424
Bond angle RMS Z-score20.6620.6940.668
Total number of bumps31395754
Unsatisfied H-bond donors/acceptors3364033
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 residues11451
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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