PDB entry 3w1k



Warnings!

Structure
SpacegroupC 1 2 1
Cell dimensionsa: 148.553 Åb: 355.972 Åc: 165.495 Å
α: 90.00°β: 115.41°γ: 90.00°
Resolution7.50 Å

Experimental data
ReflectionsAll: 9776Test set: 0 (0.0%)
Resolution range49.94 Å7.49 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19400.32850.18460.1846
R-free0.24000.33230.20470.2047
σR-free 0.01060.00650.0065
R-free Z-score 5.842.582.58

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.595-0.893-0.893
2nd generation packing quality1-1.540-1.732-1.732
Ramachandran plot appearance1-3.677-3.285-3.285
Chi-1/Chi-2 rotamer normality1-2.588-1.549-1.549
Backbone conformation10.2700.0200.020
Bond length RMS Z-score20.4090.4310.431
Bond angle RMS Z-score20.6470.6540.654
Total number of bumps31186608608
Unsatisfied H-bond donors/acceptors3334325325
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 residues48626
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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