PDB entry 1a8m



Warnings!

Structure
SpacegroupP 41 21 2
Cell dimensionsa: 94.700 Åb: 94.700 Åc: 117.400 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 21396Test set: 0 (0.0%)
Resolution range66.96 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21800.23650.25020.2696
R-free0.24000.22940.31280.3182
σR-free 0.00490.00670.0069
R-free Z-score 17.733.276.14

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.532-1.220-1.171
2nd generation packing quality1-2.823-2.422-2.166
Ramachandran plot appearance1-4.619-3.110-2.928
Chi-1/Chi-2 rotamer normality1-6.070-4.808-3.341
Backbone conformation1-0.760-0.495-0.630
Bond length RMS Z-score20.6730.7000.479
Bond angle RMS Z-score20.9910.9750.787
Total number of bumps31439561
Unsatisfied H-bond donors/acceptors3865650
Full WHAT_CHECK reportsLink LinkLink

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

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