PDB entry 1afw



Warnings!

Structure
SpacegroupP 21 21 21
Cell dimensionsa: 71.170 Åb: 92.650 Åc: 116.720 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.80 Å

Experimental data
ReflectionsAll: 71365Test set: 0 (0.0%)
Resolution range9.96 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20300.18960.15410.1529
R-free0.24200.18840.17640.1761
σR-free 0.00220.00210.0021
R-free Z-score 17.593.903.38

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.330-0.106-0.089
2nd generation packing quality1-0.833-0.445-0.214
Ramachandran plot appearance1-2.422-0.469-0.364
Chi-1/Chi-2 rotamer normality1-3.908-0.5510.469
Backbone conformation1-0.101-0.0530.007
Bond length RMS Z-score20.8780.5510.533
Bond angle RMS Z-score21.3400.7150.697
Total number of bumps32494638
Unsatisfied H-bond donors/acceptors3281723
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 residues11289
Significantly deteriorated residues07
Changes of all residuesPlot Plot

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