3TNG
The crystal structure of a possible phosphate acetyl/butaryl transferase from Listeria monocytogenes EGD-e.
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 | 2011-06-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 66.488, 66.488, 125.133 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.586 - 2.160 |
| R-factor | 0.1978 |
| Rwork | 0.195 |
| R-free | 0.24230 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.084 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.180 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.076 | 0.696 |
| Number of reflections | 15547 | |
| <I/σ(I)> | 53.2 | 4.3 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 11.2 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.005M Co chloride, 0.005M Ni chloride, 0.005M Cd chloride, 0.005M Mg chloride, 0.1M HEPES, 12% w/v PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
