4YBV
Crystal Structure of mutant of (Q32A) thioesterase enzyme SAV0944 from Staphylococcus aureus subsp. aureus Mu50
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.640, 90.850, 65.150 |
| Unit cell angles | 90.00, 99.02, 90.00 |
Refinement procedure
| Resolution | 29.747 - 2.000 |
| R-factor | 0.1932 |
| Rwork | 0.191 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m20 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.496 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.750 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 34190 | |
| <I/σ(I)> | 18.1 | |
| Completeness [%] | 98.6 | 97.9 |
| Redundancy | 7.4 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296 | 24% PEG4000, 100mM sodium citrate pH6.5, and 12%2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
