Optimised PDB entry 1t5x



Structure
SpacegroupH 3
Cell dimensionsa: 173.208 Åb: 173.208 Åc: 121.543 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.50 Å

Experimental data
ReflectionsAll: 53191Test set: 5334 (10.0%)
Resolution range29.78 Å2.39 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20800.25660.18980.1905
R-free0.24100.27750.21670.2156
σR-free 0.00380.00300.0030
Z(R-free) 9.455.035.67

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.206-0.200-0.142
2nd generation packing quality1-1.489-1.364-1.094
Ramachandran plot appearance1-1.669-0.400-0.070
Chi-1/Chi-2 rotamer normality1-2.650-2.473-1.813
Backbone conformation10.3460.2710.373
Bond length RMS Z-score20.2990.5290.431
Bond angle RMS Z-score20.6190.7560.672
Total number of bumps3642418
Unsatisfied H-bond donors/acceptors3342429
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 residues120
Significantly deteriorated residues0
Changes of all residuesPlot

Download

Links