PDB entry 2hwo



Structure
SpacegroupP 1
Cell dimensionsa: 42.099 Åb: 63.255 Åc: 73.799 Å
α: 78.73°β: 88.04°γ: 89.95°
Resolution2.50 Å

Experimental data
ReflectionsAll: 25355Test set: 1278 (5.0%)
Resolution range43.11 Å2.49 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.23500.23570.22430.2149
R-free0.29200.28390.24720.2374
σR-free 0.00790.00690.0066
Z(R-free) 3.006.616.53

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1NANA-1.792
2nd generation packing quality1NANA-0.569
Ramachandran plot appearance1-2.713-0.838-0.795
Chi-1/Chi-2 rotamer normality1-3.213-1.507-1.294
Backbone conformation1-0.335-0.345-0.182
Bond length RMS Z-score20.7000.3540.339
Bond angle RMS Z-score20.8060.5780.580
Total number of bumps3663340
Unsatisfied H-bond donors/acceptors3302125
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 residues44
Significantly deteriorated residues2
Changes of all residuesPlot

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