PDB entry 1pya



Warnings!

Structure
SpacegroupI 41 2 2
Cell dimensionsa: 221.700 Åb: 221.700 Åc: 107.100 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 45944Test set: 0 (0.0%)
Resolution range49.57 Å2.50 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.15000.15930.13560.1379
R-freeNA0.16190.17050.1705
σR-free 0.00240.00250.0025
R-free Z-score 20.924.045.24

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.494-0.386-0.308
2nd generation packing quality1-1.433-1.306-0.893
Ramachandran plot appearance1-0.728-0.1060.039
Chi-1/Chi-2 rotamer normality1-2.910-2.466-0.825
Backbone conformation10.7090.6200.693
Bond length RMS Z-score20.7540.9030.866
Bond angle RMS Z-score21.5271.0500.909
Total number of bumps3265241
Unsatisfied H-bond donors/acceptors3578250
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 residues383222
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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