4DU2
cytochrome P450 BM3h-B7 MRI sensor bound to dopamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-03-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.737, 147.236, 63.223 |
| Unit cell angles | 90.00, 98.12, 90.00 |
Refinement procedure
| Resolution | 38.986 - 1.900 |
| R-factor | 0.2009 |
| Rwork | 0.198 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dtz |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.894 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP ((ccp4 6.1)) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.986 | 38.986 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.022 | 0.440 | |
| Total number of observations | 6666 | 26921 | |
| Number of reflections | 78484 | ||
| <I/σ(I)> | 11.8 | 23.6 | 1.8 |
| Completeness [%] | 94.1 | 91.1 | 93 |
| Redundancy | 2.6 | 2.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 300 | 0.1 M Tris, pH 8.2, 0.2 M MgCl2, 19 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
