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
R0.23100.28660.20090.1938
R-free0.25500.29450.22670.2210
σR-free 0.00490.00380.0037
Z(R-free) 13.827.166.46

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.3200.3720.428
2nd generation packing quality1-0.822-0.807-0.537
Ramachandran plot appearance1-0.6260.5190.760
Chi-1/Chi-2 rotamer normality1-1.999-2.326-1.128
Backbone conformation10.7040.6350.794
Bond length RMS Z-score20.3160.5440.522
Bond angle RMS Z-score20.6430.7910.756
Total number of bumps31092522
Unsatisfied H-bond donors/acceptors3484536
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 residues237
Significantly deteriorated residues0
Changes of all residuesPlot

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