PDB entry 4j2a



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 75.013 Åb: 120.310 Åc: 130.628 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.80 Å

Experimental data
ReflectionsAll: 108628Test set: 5439 (5.0%)
Resolution range38.11 Å1.80 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.17900.17400.17400.1753
R-free0.21100.20310.20310.2074
σR-free 0.0028NA0.0028
Z(R-free) 1.21NA0.25

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.123-0.122-0.145
2nd generation packing quality1-1.046-1.046-1.001
Ramachandran plot appearance10.1030.104-0.023
Chi-1/Chi-2 rotamer normality1-0.345-0.344-0.171
Backbone conformation10.1960.1950.175
Bond length RMS Z-score20.3480.3480.522
Bond angle RMS Z-score20.5720.5720.720
Total number of bumps3565660
Unsatisfied H-bond donors/acceptors3404044
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 residues17
Significantly deteriorated residues6
Changes of all residuesPlot

Download

Links