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 conservative optimisationAfter full optimisation
R0.12200.12180.12180.1639
R-free0.15200.15170.15170.1806
σR-free 0.0033NA0.0039
R-free Z-score -4.85NA0.51

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.280-0.278-0.341
2nd generation packing quality1-1.314-1.298-1.048
Ramachandran plot appearance10.0110.011-0.108
Chi-1/Chi-2 rotamer normality10.9080.9080.832
Backbone conformation1-0.360-0.360-0.420
Bond length RMS Z-score20.8010.8010.819
Bond angle RMS Z-score20.9470.9470.953
Total number of bumps3886
Unsatisfied H-bond donors/acceptors3545
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues111
Significantly deteriorated residues147216
Changes of all residuesPlot Plot

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