4DTW
cytochrome P450 BM3h-8C8 MRI sensor bound to serotonin
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 | 2011-03-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.606, 146.249, 64.064 |
| Unit cell angles | 90.00, 97.51, 90.00 |
Refinement procedure
| Resolution | 38.870 - 1.800 |
| R-factor | 0.1949 |
| Rwork | 0.192 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dtz |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.971 |
| 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] | 38.874 | 38.874 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.033 | 0.580 | |
| Total number of observations | 6742 | 32300 | |
| Number of reflections | 91179 | ||
| <I/σ(I)> | 9 | 14.8 | 1.1 |
| Completeness [%] | 92.5 | 87.4 | 95 |
| Redundancy | 2.4 | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 300 | 0.1 M Tris, pH 8.5, 0.2 M MgCl2, 22 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
