PDB entry 3qxa



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 65.296 Åb: 95.887 Åc: 151.573 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.71 Å

Experimental data
ReflectionsAll: 26213Test set: 1246 (4.8%)
Resolution range37.45 Å2.71 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19300.19970.20140.1873
R-free0.23500.23380.23340.2254
σR-free 0.00470.00470.0045
R-free Z-score 1.231.77-0.13

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.169-0.3030.350
2nd generation packing quality1-0.904-1.093-0.463
Ramachandran plot appearance1-0.7660.3300.309
Chi-1/Chi-2 rotamer normality1-0.830-0.0690.048
Backbone conformation10.0660.0790.241
Bond length RMS Z-score20.1610.2520.279
Bond angle RMS Z-score20.4230.5120.552
Total number of bumps3965249
Unsatisfied H-bond donors/acceptors3392730
Full WHAT_CHECK reportsLink LinkLink

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

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