1NDI
Carnitine Acetyltransferase in complex with CoA
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 | 2002-10-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.260, 92.050, 122.900 |
| Unit cell angles | 90.00, 128.98, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.27 * |
| Rwork | 0.270 |
| R-free | 0.36300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1NDB |
| RMSD bond length | 0.009 |
| RMSD bond angle | 22.700 * |
| 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] | 30.000 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.088 * | 0.261 * |
| Total number of observations | 135285 * | |
| Number of reflections | 53398 | |
| Completeness [%] | 85.0 * | 75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 4 * | 100mM HEPES, 10%PEG 3350, 1mM AcetylCoA, pH 7.5, 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) |
