PDB entry 3l6f



Structure
SpacegroupP 21 21 2
Cell dimensionsa: 91.210 Åb: 135.450 Åc: 40.850 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.10 Å

Experimental data
ReflectionsAll: 30339Test set: 3039 (10.0%)
Resolution range43.22 Å2.10 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21200.21220.18430.1830
R-free0.24900.24420.21640.2180
σR-free 0.00310.00280.0028
R-free Z-score 6.194.393.25

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality10.4390.4490.480
2nd generation packing quality1-0.932-0.793-0.518
Ramachandran plot appearance1-0.5430.4410.524
Chi-1/Chi-2 rotamer normality1-1.912-1.301-0.908
Backbone conformation11.1641.1051.132
Bond length RMS Z-score20.4330.4280.420
Bond angle RMS Z-score20.7360.6780.661
Total number of bumps3592821
Unsatisfied H-bond donors/acceptors3121717
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 residues13356
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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