4L36
Crystal structure of the cytochrome P450 enzyme TxtE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.316, 52.595, 88.245 |
| Unit cell angles | 77.76, 82.17, 68.36 |
Refinement procedure
| Resolution | 39.719 - 2.104 |
| R-factor | 0.1984 |
| Rwork | 0.196 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.255 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.046 | 0.377 |
| Number of reflections | 42259 | |
| <I/σ(I)> | 5.48 | |
| Completeness [%] | 96.7 | 96.5 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 20% MPD, 20% PEG 6000, imidazole pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
