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 |