6DCD
Mycobacterium marinum cytochrome P450 CYP150A6 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 | 2017-07-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9857 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 80.570, 80.570, 134.760 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.470 - 1.550 |
| R-factor | 0.223 |
| Rwork | 0.222 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.796 |
| Data reduction software | MOSFLM |
| 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] | 48.470 | 48.470 | 1.570 |
| High resolution limit [Å] | 1.550 | 8.460 | 1.550 |
| Rmerge | 0.262 | 0.046 | 4.716 |
| Rmeas | 0.269 | 0.048 | 4.834 |
| Rpim | 0.057 | 0.011 | 1.056 |
| Total number of observations | 1649781 | 9358 | 75645 |
| Number of reflections | 74838 | 542 | 3655 |
| <I/σ(I)> | 11.7 | 44 | 0.8 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 22 | 17.3 | 20.7 |
| CC(1/2) | 0.998 | 0.999 | 0.274 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 289 | 0.2 M ammonium phosphate, 20% w/v polyethylene glycol 3,350 |
