3U9E
The crystal structure of a possible phosphate acetyl/butaryl transferase (from Listeria monocytogenes EGD-e) in complex with CoA.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.739, 76.727, 80.090 |
| Unit cell angles | 90.00, 104.08, 90.00 |
Refinement procedure
| Resolution | 38.842 - 2.040 |
| R-factor | 0.1908 |
| Rwork | 0.188 |
| R-free | 0.24230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tng |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.064 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.050 |
| Rmerge | 0.139 | 0.685 |
| Number of reflections | 61592 | |
| <I/σ(I)> | 15.1 | 1.7 |
| Completeness [%] | 99.2 | 98.8 |
| Redundancy | 3.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.1M Bis-Tris, 25% W/V PEG3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
