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 conservative optimisationAfter full optimisation
R0.18700.18460.17950.1776
R-free0.21300.20960.20340.2017
σR-free 0.00240.00240.0023
R-free Z-score -0.92-0.71-0.91

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.863-0.883-0.172
2nd generation packing quality1-0.921-0.934-0.735
Ramachandran plot appearance10.9300.8850.950
Chi-1/Chi-2 rotamer normality10.0830.1690.385
Backbone conformation10.1680.1960.194
Bond length RMS Z-score20.7550.6040.603
Bond angle RMS Z-score20.7230.7990.792
Total number of bumps3191521
Unsatisfied H-bond donors/acceptors3101819
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues2414
Significantly deteriorated residues619
Changes of all residuesPlot Plot

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