Optimised PDB entry 1dd8



Warnings!

Structure
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 re-refinementAfter re-refinement and rebuilding
R0.18800.17100.13410.1326
R-free0.21900.16690.15510.1549
σR-free 0.00270.00250.0025
Z(R-free) 21.938.888.16

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.558-0.561-0.575
2nd generation packing quality1-1.160-1.108-0.995
Ramachandran plot appearance1-1.356-0.601-0.630
Chi-1/Chi-2 rotamer normality1-1.531-1.069-0.362
Backbone conformation1-0.233-0.287-0.276
Bond length RMS Z-score20.5360.7240.707
Bond angle RMS Z-score20.7330.8510.837
Total number of bumps31254743
Unsatisfied H-bond donors/acceptors3614654
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues537
Significantly deteriorated residues0
Changes of all residuesPlot

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