Optimised PDB entry 1t5x



Warnings!

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
R0.20800.25860.18970.1879
R-free0.24100.27850.21680.2154
σR-free 0.00380.00300.0029
Z(R-free) 9.824.974.86

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.282-0.244-0.183
2nd generation packing quality1-1.489-1.278-1.143
Ramachandran plot appearance1-1.594-0.400-0.304
Chi-1/Chi-2 rotamer normality1-2.654-2.392-2.257
Backbone conformation1-0.013-0.124-0.057
Bond length RMS Z-score20.2990.5350.524
Bond angle RMS Z-score20.6190.7630.744
Total number of bumps3642218
Unsatisfied H-bond donors/acceptors3322519
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 residues164
Significantly deteriorated residues0
Changes of all residuesPlot

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