7A7B
Bacillithiol Disulfide Reductase Bdr (YpdA) from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.49379 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 179.315, 179.315, 349.336 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.630 - 2.900 |
R-factor | 0.2465 |
Rwork | 0.243 |
R-free | 0.30770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7a76 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.203 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.630 | 2.960 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.169 | 0.580 |
Rmeas | 0.165 | 0.565 |
Number of reflections | 73800 | 4449 |
<I/σ(I)> | 13.9 | 5.5 |
Completeness [%] | 99.8 | |
Redundancy | 18 | |
CC(1/2) | 0.997 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.03 M magnesium chloride, 0.03 M calcium chloride, 0.1 M MOPS/HEPES-Na, pH = 7.5, 10% w/v PEG 4000, 20% v/v glycerol |