PDB entry 4iq6



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 82.835 Åb: 84.991 Åc: 178.058 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution3.12 Å

Experimental data
ReflectionsAll: 23039Test set: 1183 (5.1%)
Resolution range89.03 Å3.12 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18600.20760.19620.1905
R-free0.22700.25610.24010.2407
σR-free 0.00530.00490.0049
R-free Z-score -1.32-0.96-2.47

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-1.285-1.250-0.995
2nd generation packing quality1-1.177-1.007-0.494
Ramachandran plot appearance1-2.633-2.872-2.915
Chi-1/Chi-2 rotamer normality1-3.805-3.058-2.319
Backbone conformation10.6250.5990.704
Bond length RMS Z-score20.6510.4550.470
Bond angle RMS Z-score20.9830.6970.716
Total number of bumps3304762
Unsatisfied H-bond donors/acceptors3383331
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 residues7418
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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