PDB entry 2e7a



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 64.560 Åb: 66.970 Åc: 103.560 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.80 Å

Experimental data
ReflectionsAll: 42165Test set: 4250 (10.1%)
Resolution range40.96 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19800.19320.17340.1720
R-free0.23900.22900.20340.2059
σR-free 0.00350.00310.0032
Z(R-free) 0.861.580.22

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.153-0.109-0.076
2nd generation packing quality1-1.516-1.407-1.248
Ramachandran plot appearance1-1.096-0.634-0.729
Chi-1/Chi-2 rotamer normality1-1.714-1.023-0.429
Backbone conformation11.0270.8991.004
Bond length RMS Z-score20.3910.6190.597
Bond angle RMS Z-score20.7100.8370.806
Total number of bumps3292724
Unsatisfied H-bond donors/acceptors3242733
LinkLinkLink

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


Density map fit (real-space correlation coefficient)
Significantly improved residues63
Significantly deteriorated residues0
Changes of all residuesPlot

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