Optimised PDB entry 3lq3



Structure
SpacegroupC 1 2 1
Cell dimensionsa: 98.175 Åb: 73.206 Åc: 62.426 Å
α: 90.00°β: 117.97°γ: 90.00°
Resolution1.42 Å

Experimental data
ReflectionsAll: 73433Test set: 3705 (5.0%)
Resolution range28.69 Å1.42 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.18700.18500.18130.1798
R-free0.21300.20940.20440.2022
σR-free 0.00340.00340.0033
Z(R-free) -0.44-0.21-0.03

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.863-0.897-0.161
2nd generation packing quality1-0.921-0.941-0.684
Ramachandran plot appearance10.9300.8780.945
Chi-1/Chi-2 rotamer normality10.0830.0960.327
Backbone conformation10.1680.1960.177
Bond length RMS Z-score20.7550.6010.604
Bond angle RMS Z-score20.7230.8020.804
Total number of bumps3191319
Unsatisfied H-bond donors/acceptors3181617
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 residues16
Significantly deteriorated residues6
Changes of all residuesPlot

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