PDB entry 2gb0



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 72.562 Åb: 69.555 Åc: 74.117 Å
α: 90.00°β: 94.26°γ: 90.00°
Resolution1.85 Å

Experimental data
ReflectionsAll: 58044Test set: 5908 (10.2%)
Resolution range42.53 Å1.85 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.16500.16080.14230.1454
R-free0.19800.18770.17360.1781
σR-free 0.00240.00230.0023
R-free Z-score 6.042.352.09

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.402-0.404-0.377
2nd generation packing quality1-1.230-1.196-1.017
Ramachandran plot appearance1-0.886-0.625-0.586
Chi-1/Chi-2 rotamer normality1-1.134-0.4360.230
Backbone conformation1-0.793-0.887-0.877
Bond length RMS Z-score20.4720.6200.617
Bond angle RMS Z-score20.8030.8030.794
Total number of bumps31006446
Unsatisfied H-bond donors/acceptors3315758
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 residues13796
Significantly deteriorated residues06
Changes of all residuesPlot Plot

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