PDB entry 4ivc



Structure
SpacegroupP 1 21 1
Cell dimensionsa: 42.329 Åb: 172.868 Åc: 44.124 Å
α: 90.00°β: 94.75°γ: 90.00°
Resolution2.35 Å

Experimental data
ReflectionsAll: 25708Test set: 1205 (4.7%)
Resolution range42.62 Å2.35 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.19700.20140.20300.2019
R-free0.26300.26940.24030.2398
σR-free 0.00780.00690.0069
R-free Z-score 1.055.725.57

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.730-0.747-0.760
2nd generation packing quality1-0.387-0.275-0.211
Ramachandran plot appearance1-2.003-1.499-1.326
Chi-1/Chi-2 rotamer normality1-1.858-1.383-1.699
Backbone conformation10.018-0.102-0.138
Bond length RMS Z-score20.4820.4680.476
Bond angle RMS Z-score20.5920.6620.676
Total number of bumps3855354
Unsatisfied H-bond donors/acceptors3242425
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 residues433
Significantly deteriorated residues711
Changes of all residuesPlot Plot

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