Optimised PDB entry 4klv



Structure
SpacegroupP 21 21 2
Cell dimensionsa: 57.340 Åb: 76.486 Åc: 39.336 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.30 Å

Experimental data
ReflectionsAll: 43239Test set: 2170 (5.0%)
Resolution range39.34 Å1.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.12200.12330.11500.1216
R-free0.15200.15290.14580.1548
σR-free 0.00330.00310.0033
Z(R-free) 3.582.522.30

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.280-0.249-0.241
2nd generation packing quality1-1.241-1.348-0.919
Ramachandran plot appearance10.7770.7730.814
Chi-1/Chi-2 rotamer normality10.4510.8160.819
Backbone conformation10.5510.5550.538
Bond length RMS Z-score20.8010.6170.614
Bond angle RMS Z-score20.9470.8400.830
Total number of bumps3022
Unsatisfied H-bond donors/acceptors3957
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 residues19
Significantly deteriorated residues26
Changes of all residuesPlot

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