Optimised PDB entry 1jo8



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 24.080 Åb: 38.155 Åc: 59.090 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.30 Å

Experimental data
ReflectionsAll: 13707Test set: 680 (5.0%)
Resolution range17.50 Å1.30 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.14400.14550.11600.1170
R-free0.17800.18070.15130.1509
σR-free 0.00690.00580.0058
Z(R-free) 3.642.212.52

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.107-0.176-0.179
2nd generation packing quality12.0011.9931.997
Ramachandran plot appearance1-0.418-0.222-0.202
Chi-1/Chi-2 rotamer normality11.0881.3031.466
Backbone conformation11.1001.1091.106
Bond length RMS Z-score20.4860.7660.762
Bond angle RMS Z-score20.7950.8930.886
Total number of bumps3000
Unsatisfied H-bond donors/acceptors3222
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 residues61
Significantly deteriorated residues0
Changes of all residuesPlot

Download

Links