8HDE
Brucella melitensis 7-alpha-Hydroxysteroid Dehydrogenase mutant: 1-53 truncation/I258M
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-07 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 98.260, 98.260, 92.456 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.600 - 2.700 |
| R-factor | 0.1842 |
| Rwork | 0.175 |
| R-free | 0.26730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gaf 1fmc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.968 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.600 | 2.790 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.150 | |
| Rmeas | 0.158 | |
| Rpim | 0.050 | |
| Number of reflections | 27394 | 14529 |
| <I/σ(I)> | 13 | |
| Completeness [%] | 99.6 | |
| Redundancy | 10 | |
| CC(1/2) | 0.996 | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 289 | 0.1M MIB buffer, 10% PEG3350 |
