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 |