PDB entry 1dd8


SpacegroupP 21 21 21
Cell dimensionsa: 59.620 Åb: 142.710 Åc: 213.460 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.30 Å

Experimental data
ReflectionsAll: 76797Test set: 0 (0.0%)
Resolution range29.87 Å2.30 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
σR-free 0.00200.00190.0019
R-free Z-score 29.959.3715.63

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.558-0.530-0.530
2nd generation packing quality1-1.160-1.148-1.004
Ramachandran plot appearance1-1.356-0.710-0.571
Chi-1/Chi-2 rotamer normality1-1.531-1.273-0.311
Backbone conformation1-0.233-0.255-0.234
Bond length RMS Z-score20.5360.7670.409
Bond angle RMS Z-score20.7330.8330.641
Total number of bumps31255251
Unsatisfied H-bond donors/acceptors3615050
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 residues354207
Significantly deteriorated residues00
Changes of all residuesPlot Plot