Optimised PDB entry 4kw0



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 25.780 Åb: 39.893 Åc: 65.690 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.49 Å

Experimental data
ReflectionsAll: 10484Test set: 511 (4.9%)
Resolution range14.75 Å1.49 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20300.20180.20180.2018
R-free0.24400.24470.24470.2447
σR-free 0.0108NANA
Z(R-free) -1.28NANA

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1NANANA
2nd generation packing quality1NANANA
Ramachandran plot appearance1NANANA
Chi-1/Chi-2 rotamer normality1NANANA
Backbone conformation1NANANA
Bond length RMS Z-score20.8370.8370.837
Bond angle RMS Z-score21.5091.5091.509
Total number of bumps3131313
Unsatisfied H-bond donors/acceptors3000
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 residues0
Significantly deteriorated residues20
Changes of all residuesPlot

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