6CVC
Mycobacterium marinum cytochrome P450 CYP124A1 in the substrate-free form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-07 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.776, 72.359, 65.602 |
| Unit cell angles | 90.00, 109.72, 90.00 |
Refinement procedure
| Resolution | 25.193 - 2.200 |
| R-factor | 0.2067 |
| Rwork | 0.204 |
| R-free | 0.25370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wm5 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.459 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.490 | 46.490 | 2.270 |
| High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
| Rmerge | 0.298 | 0.068 | 1.135 |
| Rmeas | 0.321 | 0.074 | 1.226 |
| Rpim | 0.118 | 0.029 | 0.460 |
| Total number of observations | 163114 | 2159 | 13544 |
| Number of reflections | 21973 | 333 | 1906 |
| <I/σ(I)> | 7.7 | 18.6 | 3.1 |
| Completeness [%] | 99.1 | 98.5 | 98.5 |
| Redundancy | 7.4 | 6.5 | 7.1 |
| CC(1/2) | 0.989 | 0.994 | 0.855 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 289 | 0.26 M ammonium sulphate, 20% w/v polyethylene glycol 3,350 |
