4JN0
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2011-10-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.115869 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.070, 74.560, 50.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.038 - 1.864 |
R-factor | 0.1519 |
Rwork | 0.150 |
R-free | 0.19420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | PHENIX (1.6_289) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.800 |
Number of reflections | 34480 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 283 | Apo crystal grown in 100mM KPi, pH 6.0. Soaked into 100mM ZINC14401108 in 25% MPD (30min), vapor diffusion, sitting drop, temperature 283K, VAPOR DIFFUSION, SITTING DROP |