3GIT
Crystal structure of a truncated acetyl-CoA synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-12 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.008 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 166.400, 166.400, 245.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.980 - 3.000 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1OAO: ACS domain 2 (320-470) and domain 3 (500-729) |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.586 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.053 | 0.243 |
| Number of reflections | 78342 | 14222 |
| <I/σ(I)> | 19.6 | 6.3 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 7.5 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | ammonium sulfate, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
