Optimised 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 re-refinementAfter re-refinement and rebuilding
R0.19400.21370.20850.2070
R-free0.24000.25740.24640.2513
σR-free 0.00620.00590.0060
Z(R-free) 5.476.415.15

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.486-0.569-0.565
2nd generation packing quality1-1.575-1.378-1.275
Ramachandran plot appearance1-1.950-1.073-0.988
Chi-1/Chi-2 rotamer normality1-4.555-2.901-3.087
Backbone conformation10.1470.271-0.064
Bond length RMS Z-score20.4040.4080.411
Bond angle RMS Z-score20.6170.6480.653
Total number of bumps3632433
Unsatisfied H-bond donors/acceptors3584744
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 residues41
Significantly deteriorated residues6
Changes of all residuesPlot

Download

Links