1Q6X
Crystal structure of rat choline acetyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2002-11-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.701, 78.882, 139.364 |
| Unit cell angles | 90.00, 98.38, 90.00 |
Refinement procedure
| Resolution | 28.940 - 2.500 |
| R-factor | 0.226 |
| Rwork | 0.223 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ndb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.075 | 0.337 |
| Number of reflections | 62219 | |
| <I/σ(I)> | 8.1 | 3.9 |
| Completeness [%] | 95.2 | |
| Redundancy | 3.8 | 3.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG 20000, (2-(N-Morpholino)ethanesulfonic acid, sodium chloride, 2-mercaptoethanol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
