Optimised PDB entry 4idx



Structure
SpacegroupI 4 2 2
Cell dimensionsa: 159.200 Åb: 159.200 Åc: 157.800 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.21 Å

Experimental data
ReflectionsAll: 16903Test set: 853 (5.0%)
Resolution range49.94 Å3.21 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.32100.32100.30860.3166
R-free0.37400.36650.36160.3727
σR-free 0.01250.01240.0128
Z(R-free) 1.500.700.56

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-3.084-2.443-2.543
2nd generation packing quality1-3.870-3.112-3.103
Ramachandran plot appearance1-6.743-5.026-4.984
Chi-1/Chi-2 rotamer normality1-8.175-7.737-7.605
Backbone conformation1-4.065-3.086-3.382
Bond length RMS Z-score20.4940.5540.574
Bond angle RMS Z-score20.6970.8730.927
Total number of bumps31904061
Unsatisfied H-bond donors/acceptors310491105
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 residues20
Significantly deteriorated residues36
Changes of all residuesPlot

Download

Links