4HGG
Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.900, 147.980, 64.010 |
| Unit cell angles | 90.00, 98.37, 90.00 |
Refinement procedure
| Resolution | 48.110 - 1.700 |
| R-factor | 0.18041 |
| Rwork | 0.179 |
| R-free | 0.21101 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j4s |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.533 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Auto-Rickshaw |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.110 | 1.786 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 118652 | |
| <I/σ(I)> | 32.26 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 100-160 mM magnesium chloride, 100 mM 2-(N-morpholino)ethanesulfonic acid (pH 6.5), 10-20% PEG 3350/PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
