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 |