1XA7
Crystal structure of the benzylpenicillin-acylated BlaR1 sensor domain from Staphylococcus aureus
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-06-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97911, 0.97940, 0.90000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 88.386, 88.386, 125.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.400 |
R-factor | 0.22236 |
Rwork | 0.220 |
R-free | 0.27451 |
Structure solution method | MAD |
RMSD bond length | 0.020 |
RMSD bond angle | 1.796 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 33864 | |
Completeness [%] | 99.0 | 99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 291 | 26-29% PEG 3350, 0.2M NaCl, 0.1M Bis-Tris, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |