PDB entry 1f2f



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 74.460 Åb: 27.220 Åc: 55.250 Å
α: 90.00°β: 106.68°γ: 90.00°
Resolution1.70 Å

Experimental data
ReflectionsAll: 11663Test set: 1208 (10.4%)
Resolution range14.85 Å1.70 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20800.20300.16740.1690
R-free0.24000.22800.20110.2015
σR-free 0.00660.00580.0058
R-free Z-score 2.17-0.220.03

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.645-0.462-0.526
2nd generation packing quality1-0.865-0.850-0.812
Ramachandran plot appearance1-0.4190.2020.022
Chi-1/Chi-2 rotamer normality1-1.020-0.671-0.105
Backbone conformation10.1860.2880.182
Bond length RMS Z-score20.5250.7660.849
Bond angle RMS Z-score20.7550.8980.934
Total number of bumps3225
Unsatisfied H-bond donors/acceptors3666
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 residues3726
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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