8HS4
Brucella melitensis 7-alpha-Hydroxysteroid Dehydrogenase mutant: 1-53 truncation/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) | 0.9875 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 98.204, 98.204, 93.144 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.850 - 2.000 |
R-factor | 0.1777 |
Rwork | 0.176 |
R-free | 0.20620 |
Structure solution method | MOLECULAR REPLACEMENT |
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] | 40.880 | 2.073 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.112 | |
Rmeas | 0.118 | |
Number of reflections | 72757 | 72757 |
<I/σ(I)> | 15.5 | |
Completeness [%] | 99.9 | |
Redundancy | 9.9 | |
CC(1/2) | 0.996 | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 289 | 0.1M MIB, 10% PEG3350 |