4MOC
Human Acyl-coenzyme A Thioesterase 12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-29 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.953690 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 123.560, 123.560, 49.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.383 - 2.500 |
| R-factor | 0.2043 |
| Rwork | 0.202 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.858 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER (for MR) |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.383 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.797 | |
| Number of reflections | 14338 | |
| <I/σ(I)> | 2.3 | 2.3 |
| Completeness [%] | 93.5 | 87.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 450 mM sodium thiocyanate, 22% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
