Optimised PDB entry 5tsw



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 94.170 Åb: 94.560 Åc: 95.890 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 37933Test set: 7667 (20.2%)
Resolution range8.19 Å2.18 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20700.30020.24090.2479
R-free0.29900.33300.28970.3001
σR-free 0.00420.00400.0041
Z(R-free) 6.740.07-0.41

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.404-1.533-1.922
2nd generation packing quality1-3.151-3.424-2.740
Ramachandran plot appearance1-3.101-1.399-1.480
Chi-1/Chi-2 rotamer normality1-6.026-3.920-3.348
Backbone conformation1-0.273-0.488-0.397
Bond length RMS Z-score20.6020.7200.592
Bond angle RMS Z-score20.8580.9030.818
Total number of bumps31432447
Unsatisfied H-bond donors/acceptors3838173
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 residues3
Significantly deteriorated residues0
Changes of all residuesPlot

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