PDB entry 3s5l



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 94.200 Åb: 119.700 Åc: 137.400 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 91149Test set: 4566 (5.0%)
Resolution range47.41 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.23400.22870.20290.1987
R-free0.26800.26190.23450.2318
σR-free 0.00390.00350.0034
Z(R-free) 4.283.603.00

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.2580.3700.381
2nd generation packing quality1-1.183-1.055-0.692
Ramachandran plot appearance1-0.9660.2020.181
Chi-1/Chi-2 rotamer normality1-2.223-1.666-1.199
Backbone conformation10.6510.8610.915
Bond length RMS Z-score20.4040.5040.491
Bond angle RMS Z-score20.7010.7210.709
Total number of bumps31518968
Unsatisfied H-bond donors/acceptors3545152
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 residues331
Significantly deteriorated residues1
Changes of all residuesPlot

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