4DTY
cytochrome P450 BM3h-8C8 MRI sensor, no ligand
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 | 58.754, 145.661, 63.532 |
| Unit cell angles | 90.00, 97.18, 90.00 |
Refinement procedure
| Resolution | 37.310 - 1.450 |
| R-factor | 0.1775 |
| Rwork | 0.176 |
| R-free | 0.21170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dtz |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.203 |
| 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] | 38.465 | 38.465 | 1.530 |
| High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
| Rmerge | 0.028 | 0.555 | |
| Total number of observations | 19163 | 84061 | |
| Number of reflections | 174667 | ||
| <I/σ(I)> | 10.3 | 21.2 | 1 |
| Completeness [%] | 93.8 | 93.5 | 93 |
| Redundancy | 3.4 | 3.4 | 3.3 |
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 |
