4G1B
X-ray structure of yeast flavohemoglobin 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 | 2008-11-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99985 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.910, 93.830, 111.020 |
| Unit cell angles | 90.00, 108.22, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.000 |
| R-factor | 0.2321 |
| Rwork | 0.229 |
| R-free | 0.27992 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g1v |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.484 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.6.0095) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.300 |
| High resolution limit [Å] | 2.700 | 3.000 |
| Number of reflections | 37179 | |
| Completeness [%] | 95.9 | 91.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 16% PEG 4000; 0.1 M Tris HCl pH 8.5 and 0.2 M lithium sulphate, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
