3OZV
The Crystal Structure of flavohemoglobin from R. eutrophus in complex with econazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 87.220, 87.220, 291.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cqx |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.580 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.6.0046) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.082 | 0.460 |
| Number of reflections | 43225 | |
| <I/σ(I)> | 17.7 | 3.4 |
| Completeness [%] | 95.0 | 86.3 |
| Redundancy | 3.97 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 277 | 1.5M ammonium sulphate, 25% (w/v) glycerol and 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
