PDB entry 2dfk



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 57.957 Åb: 147.499 Åc: 167.220 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.15 Å

Experimental data
ReflectionsAll: 78688Test set: 3915 (5.0%)
Resolution range45.57 Å2.11 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18000.18080.17730.1849
R-free0.22900.22790.21390.2218
σR-free 0.00360.00340.0035
R-free Z-score -0.442.352.74

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.3110.6570.700
2nd generation packing quality1-0.963-0.659-0.248
Ramachandran plot appearance1-0.6530.7130.798
Chi-1/Chi-2 rotamer normality1-2.882-1.626-0.792
Backbone conformation10.1420.3010.335
Bond length RMS Z-score20.9050.4770.496
Bond angle RMS Z-score20.9530.7130.701
Total number of bumps315914385
Unsatisfied H-bond donors/acceptors3424138
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 residues42870
Significantly deteriorated residues3154
Changes of all residuesPlot Plot

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