5EGL
The structural and biochemical characterization of acyl-coa hydrolase from Staphylococcus aureus in complex with Butyryl Coenzyme A, Coenzyme A, and Coenzyme A disulfide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 142.260, 142.260, 163.892 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.835 - 2.100 |
| R-factor | 0.2142 |
| Rwork | 0.212 |
| R-free | 0.24630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ncp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.112 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1894) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.840 | 2.175 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.027 | 0.200 |
| Number of reflections | 57467 | |
| <I/σ(I)> | 13.83 | 3.23 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 4M Sodium formate |
