5E78
Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep
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 | 2009-05-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8123 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.970, 128.540, 150.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.17695 |
| Rwork | 0.175 |
| R-free | 0.21185 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j4s |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.576 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | |
| Number of reflections | 76758 | |
| <I/σ(I)> | 15.66 | |
| Completeness [%] | 98.7 | 96.4 |
| Redundancy | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 100-160 mM MgCl2, 100 mM MES (pH 6.5) 10-18% PEG 3350 and 5-10 mM Co(III)Sep |
