6IAO
Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 377.933, 59.937, 95.456 |
| Unit cell angles | 90.00, 95.74, 90.00 |
Refinement procedure
| Resolution | 47.177 - 2.160 |
| R-factor | 0.1611 |
| Rwork | 0.159 |
| R-free | 0.20210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dgi |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.5.1) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 188.019 | 47.888 | 2.280 |
| High resolution limit [Å] | 2.160 | 6.830 | 2.160 |
| Rmerge | 0.032 | 0.727 | |
| Rmeas | 0.155 | 0.036 | 0.837 |
| Rpim | 0.067 | 0.016 | 0.404 |
| Number of reflections | 114389 | 3825 | 16254 |
| <I/σ(I)> | 13.5 | 13.4 | 0.9 |
| Completeness [%] | 99.6 | 99.7 | 97.6 |
| Redundancy | 5.1 | 5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 279 | 18% PEG4000, 0.25 M Magnesium chloride, 0.1 M TRIS pH 8.0, 10 mM DTT |
