8HSA
Brucella melitensis 7-alpha-Hydroxysteroid Dehydrogenase mutant: 1-53 truncation/M196I/I258M/K262T-NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.931, 108.647, 130.883 |
| Unit cell angles | 90.00, 96.61, 90.00 |
Refinement procedure
| Resolution | 23.840 - 3.000 |
| R-factor | 0.23 |
| Rwork | 0.225 |
| R-free | 0.31490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.264 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.840 | 3.107 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.134 | |
| Rmeas | 0.155 | |
| Number of reflections | 68427 | 35933 |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 96.5 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.987 | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2M Sodium formate, 20% PEG ester 5000 |
