Optimised PDB entry 1t5w



Warnings!

Structure
SpacegroupC 2 2 21
Cell dimensionsa: 96.554 Åb: 112.646 Åc: 206.976 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.40 Å

Experimental data
ReflectionsAll: 50347Test set: 3544 (7.0%)
Resolution range24.79 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.23100.28630.20060.1950
R-free0.25500.29440.22650.2210
σR-free 0.00490.00380.0037
Z(R-free) 13.767.116.89

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.4090.4270.501
2nd generation packing quality1-0.729-0.689-0.507
Ramachandran plot appearance1-0.5230.7110.910
Chi-1/Chi-2 rotamer normality1-1.923-2.331-1.253
Backbone conformation11.0770.9941.127
Bond length RMS Z-score20.3160.5420.524
Bond angle RMS Z-score20.6430.7850.754
Total number of bumps31093230
Unsatisfied H-bond donors/acceptors3504936
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 residues214
Significantly deteriorated residues1
Changes of all residuesPlot

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