PDB entry 4fqx



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 66.190 Åb: 121.649 Åc: 138.416 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.60 Å

Experimental data
ReflectionsAll: 34028Test set: 1735 (5.1%)
Resolution range36.14 Å2.60 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19400.21510.20710.2075
R-free0.24000.25750.24770.2512
σR-free 0.00440.00420.0043
R-free Z-score 8.118.247.35

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.428-0.473-0.475
2nd generation packing quality1-1.385-1.182-1.161
Ramachandran plot appearance1-1.769-1.266-1.335
Chi-1/Chi-2 rotamer normality1-3.186-2.521-2.387
Backbone conformation10.3350.3040.201
Bond length RMS Z-score20.4040.3820.386
Bond angle RMS Z-score20.6170.6170.618
Total number of bumps3735355
Unsatisfied H-bond donors/acceptors3594347
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 residues338
Significantly deteriorated residues1416
Changes of all residuesPlot Plot

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