5JRH
Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9782 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.193, 144.339, 71.734 |
| Unit cell angles | 90.00, 91.73, 90.00 |
Refinement procedure
| Resolution | 37.576 - 1.644 |
| R-factor | 0.1709 |
| Rwork | 0.169 |
| R-free | 0.20720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pg4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.148 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.680 |
| High resolution limit [Å] | 1.644 | 1.650 |
| Rmerge | 0.146 | 0.616 |
| Number of reflections | 147320 | |
| <I/σ(I)> | 8 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 295 | 0.2 M KH2PO4, pH 4.8, 20% PEG 3350 |
