PDB entry 4gkk



Structure
SpacegroupP 41 21 2
Cell dimensionsa: 402.370 Åb: 402.370 Åc: 175.620 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.20 Å

Experimental data
ReflectionsAll: 230910Test set: 11793 (5.1%)
Resolution range80.48 Å3.20 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19500.21150.21150.1943
R-free0.23600.24990.24990.2495
σR-free 0.0023NA0.0023
R-free Z-score 1.70NA-7.09

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-2.730-2.727-2.995
2nd generation packing quality1-3.049-3.051-3.264
Ramachandran plot appearance1-4.963-4.960-5.360
Chi-1/Chi-2 rotamer normality1-5.686-5.685-5.660
Backbone conformation1-1.184-1.184-1.524
Bond length RMS Z-score20.7760.7830.544
Bond angle RMS Z-score21.1881.1880.924
Total number of bumps3160416081933
Unsatisfied H-bond donors/acceptors3449449463
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 residues729156
Significantly deteriorated residues828
Changes of all residuesPlot Plot

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