1EXW
CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1 COMPLEXED WITH HEXADECYLSULFONYL FLUORIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-02-14 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 69.060, 69.060, 128.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.710 - 2.400 |
| R-factor | 0.243 |
| Rwork | 0.243 |
| R-free | 0.28800 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.700 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.270 | 2.580 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.059 | 0.216 |
| Number of reflections | 79642 | |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 6.1 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 293 | 55% PPG 400, 0.1 M Bis Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 20K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | HEPES | 20 (mM) | |
| 3 | 1 | drop | 150 (mM) | ||
| 4 | 1 | drop | Triton X-100 | 0.01 (%) | |
| 5 | 1 | drop | HDSF | 1 (mM) | |
| 6 | 1 | reservoir | PEG400 | 55 (%) | |
| 7 | 1 | reservoir | bis-Tris | 100 (mM) |
