PDB entry 4jd8



Structure
SpacegroupP 31 2 1
Cell dimensionsa: 37.550 Åb: 37.550 Åc: 54.371 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution1.16 Å

Experimental data
ReflectionsAll: 15696Test set: 789 (5.0%)
Resolution range32.52 Å1.16 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.13800.14180.14180.1607
R-free0.16200.16470.16470.1868
σR-free 0.0041NA0.0047
R-free Z-score 2.59NA2.53

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1NANANA
2nd generation packing quality1NANANA
Ramachandran plot appearance1NANANA
Chi-1/Chi-2 rotamer normality1NANANA
Backbone conformation1NANANA
Bond length RMS Z-score21.5661.5660.619
Bond angle RMS Z-score21.8161.8161.127
Total number of bumps311108
Unsatisfied H-bond donors/acceptors3000
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 residues37
Significantly deteriorated residues1524
Changes of all residuesPlot Plot

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