3TJM
Crystal Structure of the Human Fatty Acid Synthase Thioesterase Domain with an Activate Site-Specific Polyunsaturated Fatty Acyl Adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97948 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.915, 62.097, 76.511 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.560 - 1.480 |
| R-factor | 0.19159 |
| Rwork | 0.190 |
| R-free | 0.22417 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xkt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.358 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 23.560 |
| High resolution limit [Å] | 1.480 |
| Number of reflections | 38459 |
| Completeness [%] | 98.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 298 | 18-23% PEG 3350, 0.1M Bis-Tris buffer, pH 5.5, VAPOR DIFFUSION, temperature 298K |
