4QIB
Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Cu FINE FOCUS |
Temperature [K] | 115 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 68.530, 68.530, 79.270 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.791 - 1.865 |
R-factor | 0.156 |
Rwork | 0.153 |
R-free | 0.18510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.336 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.9_1690)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.791 | 1.960 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.043 | 0.173 |
<I/σ(I)> | 23.1 | 7.5 |
Completeness [%] | 99.8 | 97.7 |
Redundancy | 5.2 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 20 mg/mL protein, 2.0 to 2.4 M ammonium sulfate, 1% poly(ethylene glycol) 400, 100 mM Hepes, 10 mM H2O2, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |