4JMB
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-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 | 2011-09-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.820, 74.800, 50.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.190 - 1.300 |
| R-factor | 0.1665 |
| Rwork | 0.166 |
| R-free | 0.17560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.992 |
| 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] | 1.200 |
| Number of reflections | 100525 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 283 | Apo crystal grown in 500mM MES, pH 6.0. Soaked into 100mM ZINC00346401 in 500mM MES, pH 6.0, 25% MPD (30min), vapor diffusion, sitting drop, temperature 283K |
