1EH5
CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1 COMPLEXED WITH PALMITATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-03-06 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 67.520, 67.520, 128.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.226 * |
| Rwork | 0.226 |
| R-free | 0.27000 |
| Structure solution method | difference fourier |
| Starting model (for MR) | 1ei9 (uncomplexed ppt1) |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.200 * | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.148 | 0.362 |
| Total number of observations | 113623 * | |
| Number of reflections | 10620 * | |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 97.4 * | 97.8 |
| Redundancy | 4.4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 293 | 55% Polypropylene Glycol 400, 100 mM Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 20.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG400 | 55 (%) | |
| 2 | 1 | reservoir | Bis-Tris | 100 (mM) | |
| 3 | 1 | drop | PPT1 | 12 (mg/ml) | |
| 4 | 1 | drop | palmitoyl-CoA | 2 (mg/ml) | |
| 5 | 1 | drop | HEPES | 20 (mM) | |
| 6 | 1 | drop | 150 (mM) |
