2H3P
Crystal structure of murine carnitine acetyltransferase in complex with carnitine and acetyl-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 | 2005-02-03 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.900, 89.240, 122.640 |
| Unit cell angles | 90.00, 128.96, 90.00 |
Refinement procedure
| Resolution | 29.920 - 2.200 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.040 | 0.098 |
| Number of reflections | 65954 | |
| <I/σ(I)> | 24.7336 | 8.117 |
| Completeness [%] | 95.5 | 89.5 |
| Redundancy | 3 | 2.4 |
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 |
