PDB entry 4hma



Structure
SpacegroupP 21 21 2
Cell dimensionsa: 73.870 Åb: 98.240 Åc: 47.440 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.94 Å

Experimental data
ReflectionsAll: 26014Test set: 1301 (5.0%)
Resolution range42.72 Å1.94 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.21100.21820.20360.2080
R-free0.28300.29580.26450.2658
σR-free 0.00580.00520.0052
R-free Z-score -4.03-1.98-1.17

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-2.007-1.965-1.987
2nd generation packing quality1-3.107-2.976-2.777
Ramachandran plot appearance1-0.0820.3080.353
Chi-1/Chi-2 rotamer normality1-1.163-0.1360.120
Backbone conformation1-0.272-0.317-0.452
Bond length RMS Z-score20.9121.0761.061
Bond angle RMS Z-score20.9231.0481.062
Total number of bumps3393930
Unsatisfied H-bond donors/acceptors3243337
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 residues2929
Significantly deteriorated residues34
Changes of all residuesPlot Plot

Download

Links