PDB entry 4jt9



Structure
SpacegroupP 65
Cell dimensionsa: 120.464 Åb: 120.464 Åc: 44.468 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.24 Å

Experimental data
ReflectionsAll: 17656Test set: 900 (5.1%)
Resolution range39.43 Å2.24 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19700.19980.17840.1866
R-free0.24700.24110.21060.2191
σR-free 0.00570.00500.0052
R-free Z-score 2.403.383.62

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.701-0.653-0.719
2nd generation packing quality1-1.753-1.815-1.660
Ramachandran plot appearance1-1.251-0.936-0.890
Chi-1/Chi-2 rotamer normality1-1.154-0.300-0.324
Backbone conformation1-0.189-0.199-0.306
Bond length RMS Z-score20.4890.3370.343
Bond angle RMS Z-score20.6360.6020.606
Total number of bumps3522519
Unsatisfied H-bond donors/acceptors3111113
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 residues1216
Significantly deteriorated residues03
Changes of all residuesPlot Plot

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