PDB entry 2icw



Warnings!

Structure
SpacegroupP 1
Cell dimensionsa: 61.516 Åb: 86.822 Åc: 116.981 Å
α: 110.27°β: 92.32°γ: 107.87°
Resolution2.41 Å

Experimental data
ReflectionsAll: 78299Test set: 3944 (5.0%)
Resolution range47.79 Å2.41 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.24200.24440.20280.2060
R-free0.28800.28790.24740.2428
σR-free 0.00320.00280.0027
R-free Z-score 12.538.8612.48

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.0300.3410.388
2nd generation packing quality1-1.111-0.729-0.374
Ramachandran plot appearance1-2.286-0.753-0.315
Chi-1/Chi-2 rotamer normality1-2.962-2.656-1.293
Backbone conformation10.0480.1520.172
Bond length RMS Z-score20.3290.4750.307
Bond angle RMS Z-score20.6130.6960.570
Total number of bumps3383193126
Unsatisfied H-bond donors/acceptors3143105107
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

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