Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.19700.19860.18020.1877
R-free0.24700.24110.21270.2237
σR-free 0.00800.00710.0075
Z(R-free) 1.512.412.08

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.701-0.718-0.759
2nd generation packing quality1-1.753-1.856-1.719
Ramachandran plot appearance1-1.251-1.119-1.158
Chi-1/Chi-2 rotamer normality1-1.154-0.820-0.632
Backbone conformation1-0.189-0.217-0.330
Bond length RMS Z-score20.4890.5340.553
Bond angle RMS Z-score20.6360.7640.779
Total number of bumps3522315
Unsatisfied H-bond donors/acceptors3111114
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 residues9
Significantly deteriorated residues1
Changes of all residuesPlot

Download

Links