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 |