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 |