8SWL
Substrate free structure of cytochrome P450 CYP105Q4 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 | 2019-07-10 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 1 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 57.563, 64.734, 127.475 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.020 - 3.060 |
| R-factor | 0.2031 |
| Rwork | 0.199 |
| R-free | 0.28870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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] | 43.020 | 43.020 | 3.270 |
| High resolution limit [Å] | 3.060 | 8.660 | 3.060 |
| Rmerge | 0.437 | 0.084 | 1.747 |
| Total number of observations | 125124 | 5589 | 21542 |
| Number of reflections | 9500 | 483 | 1672 |
| <I/σ(I)> | 6.3 | 21.7 | 1.7 |
| Completeness [%] | 99.9 | 99.5 | 99.6 |
| Redundancy | 13.2 | 11.6 | 12.9 |
| CC(1/2) | 0.993 | 0.998 | 0.622 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 289.15 | citric acid, bis-trispropane, PEG 3,350 |
