5WK0
Crystal structure of the bacillithiol transferase BstA from Staphylococcus aureus.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 66.019, 42.572, 50.414 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.526 - 1.335 |
R-factor | 0.1524 |
Rwork | 0.150 |
R-free | 0.18950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cex |
RMSD bond length | 0.006 |
RMSD bond angle | 0.794 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.400 | 1.340 |
High resolution limit [Å] | 1.335 | 1.335 |
Rmerge | 0.079 | 0.770 |
Number of reflections | 32630 | 319 |
<I/σ(I)> | 13.3 | 2.3 |
Completeness [%] | 98.9 | 96.1 |
Redundancy | 7.7 | 7.5 |
CC(1/2) | 1.000 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | 0.1 M sodium acetate trihydrate 20% (+/-) 2-methyl-2,4-dimethyl pentanediol |