1NDF
Carnitine Acetyltransferase in Complex with Carnitine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 160.680, 91.670, 122.610 |
| Unit cell angles | 90.00, 128.84, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.900 |
| R-factor | 0.2001 |
| Rwork | 0.200 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ndb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.057 * | 0.174 * |
| Total number of observations | 347562 * | |
| Number of reflections | 105409 | |
| Completeness [%] | 97.0 * | 92.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 4 * | 100mM TRIS, 12%PEG 3350,1mM Carnitine, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris | 100 (mM) | pH8.0 |
| 2 | 1 | reservoir | PEG3350 | 12 (%(w/v)) | |
| 3 | 1 | drop | protein | 16 (mg/ml) | |
| 4 | 1 | drop | carnitine | 0.6 (mM) |
