3G7S
Crystal structure of a long-chain-fatty-acid-CoA ligase (FadD1) from Archaeoglobus fulgidus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.038, 105.070, 182.295 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.570 - 2.150 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.25600 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.570 | 2.280 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.114 | 0.471 |
| Number of reflections | 55438 | |
| <I/σ(I)> | 9.9 | 2 |
| Completeness [%] | 90.0 | 62.3 |
| Redundancy | 8 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 0.2 M Sodium chloride, 0.1 M Sodium acetate, 15% MPD, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
