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
R0.18700.18470.18050.1789
R-free0.21300.20920.20460.2031
σR-free 0.00340.00340.0033
Z(R-free) -0.47-0.53-0.64

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.863-0.896-0.169
2nd generation packing quality1-0.883-0.900-0.594
Ramachandran plot appearance10.5710.4300.541
Chi-1/Chi-2 rotamer normality1-0.625-0.601-0.433
Backbone conformation1-0.807-0.780-0.786
Bond length RMS Z-score20.7550.5980.597
Bond angle RMS Z-score20.7230.7900.789
Total number of bumps3121014
Unsatisfied H-bond donors/acceptors3121316
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 residues5
Changes of all residuesPlot

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