4HGJ
Crystal structure of P450 BM3 5F5 heme domain variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.81 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.010, 148.370, 64.150 |
| Unit cell angles | 90.00, 98.20, 90.00 |
Refinement procedure
| Resolution | 19.930 - 1.900 |
| R-factor | 0.18358 |
| Rwork | 0.182 |
| R-free | 0.21658 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j4s |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.959 |
| 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] | 19.930 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 83473 | |
| <I/σ(I)> | 23.26 | |
| Completeness [%] | 97.5 | 98.4 |
| Redundancy | 2.4 |
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 |
