4JMV
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-6-amine
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 | 106.560, 73.840, 51.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.190 - 1.820 |
R-factor | 0.1412 |
Rwork | 0.139 |
R-free | 0.17450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 2.372 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.650 |
Number of reflections | 36862 |
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 ZINC18555973 in 25% MPD (30min), vapor diffusion, sitting drop, temperature 283K, VAPOR DIFFUSION, SITTING DROP |