7TEF
Cytochrome P450 14 alpha-sterol demethylase CYP51 from Mycobacterium marinum
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 | 2020-06-14 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.934, 73.112, 89.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.280 - 1.980 |
| R-factor | 0.1744 |
| Rwork | 0.172 |
| R-free | 0.21340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ea1 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.280 | 44.280 | 2.030 |
| High resolution limit [Å] | 1.980 | 9.070 | 1.980 |
| Rmerge | 0.270 | 0.041 | 1.940 |
| Total number of observations | 447875 | 5004 | 30740 |
| Number of reflections | 33253 | 410 | 2312 |
| <I/σ(I)> | 9.3 | 46.2 | 1.5 |
| Completeness [%] | 100.0 | 99.4 | 99.5 |
| Redundancy | 13.5 | 12.2 | 13.3 |
| CC(1/2) | 0.996 | 1.000 | 0.601 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 289.15 | Bis-Tris, PEG 3350, ammonium sulfate |
