3LAX
The crystal structure of a domain of phenylacetate-coenzyme A ligase from Bacteroides vulgatus ATCC 8482
Replaces: 3GXSExperimental 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 | 2008-12-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.737, 44.334, 67.601 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.187 - 1.428 |
| R-factor | 0.1767 |
| Rwork | 0.174 |
| R-free | 0.22530 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.090 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.450 |
| High resolution limit [Å] | 1.428 | 1.430 |
| Rmerge | 0.075 | 0.709 |
| Number of reflections | 19292 | |
| <I/σ(I)> | 39.7 | 1.96 |
| Completeness [%] | 98.9 | 96 |
| Redundancy | 6.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2M Ammonium acetate, 0.1M HEPES, 45% w/v MPD, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
