PDB entry 1klg



Structure
SpacegroupH 3
Cell dimensionsa: 172.986 Åb: 172.986 Åc: 121.435 Å
α: 90.00°β: 90.00°γ: 120.00°
Resolution2.40 Å

Experimental data
ReflectionsAll: 49397Test set: 2485 (5.0%)
Resolution range36.66 Å2.40 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.20600.23120.20070.1970
R-free0.24600.26480.23850.2341
σR-free 0.00380.00340.0033
R-free Z-score 4.872.212.21

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.1140.0350.066
2nd generation packing quality1-1.470-1.253-1.034
Ramachandran plot appearance1-2.001-0.508-0.405
Chi-1/Chi-2 rotamer normality1-2.349-1.717-1.104
Backbone conformation10.2860.4070.409
Bond length RMS Z-score20.3490.4070.396
Bond angle RMS Z-score20.6780.6710.641
Total number of bumps31245043
Unsatisfied H-bond donors/acceptors3312727
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 residues11275
Significantly deteriorated residues01
Changes of all residuesPlot Plot

Download

Links