PDB entry 4bi1



Structure
SpacegroupI 2 2 2
Cell dimensionsa: 70.910 Åb: 111.820 Åc: 113.570 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.70 Å

Experimental data
ReflectionsAll: 12740Test set: 624 (4.9%)
Resolution range56.78 Å2.70 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18770.20640.20640.1899
R-free0.22830.23140.23140.2310
σR-free 0.0093NA0.0092
R-free Z-score 1.75NA-0.34

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1NANA0.377
2nd generation packing quality1NANA-0.152
Ramachandran plot appearance1-0.458-0.458-0.334
Chi-1/Chi-2 rotamer normality1-2.090-2.090-1.245
Backbone conformation10.6750.6750.703
Bond length RMS Z-score20.6540.6540.394
Bond angle RMS Z-score20.9660.9660.640
Total number of bumps3212126
Unsatisfied H-bond donors/acceptors3171716
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 residues6237
Significantly deteriorated residues00
Changes of all residuesPlot Plot

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