2H3U
Crystal structure of murine carnitine acetyltransferase in complex with carnitine and 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 | 2005-10-14 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 164.510, 89.740, 122.950 |
| Unit cell angles | 90.00, 128.96, 90.00 |
Refinement procedure
| Resolution | 29.210 - 1.900 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB (THEN SOLVE/RESOLVE) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.074 | 0.406 |
| Number of reflections | 106811 | |
| <I/σ(I)> | 12.8603 | 2.198 |
| Completeness [%] | 98.1 | 95.8 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 100 mM Tris, 100 mM NaCl, 14% PEG3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
