1FJ2
Crystal structure of the human acyl protein thioesterase 1 at 1.5 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-04-03 |
| Detector | ADSC QUANTUM |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.590, 127.890, 39.660 |
| Unit cell angles | 90.00, 102.80, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.186 * |
| Rwork | 0.183 |
| R-free | 0.23700 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 0.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.530 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.052 | 0.343 * |
| Total number of observations | 163216 * | |
| Number of reflections | 50736 | |
| <I/σ(I)> | 17 | 2.5 |
| Completeness [%] | 80.0 | 27.1 * |
| Redundancy | 3.2 * | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | 293 | 28 - 32% OF SATURATED AMMONIUM SULFATE, 0.1 M SODIUM ACETATE, DI-THIO-THREITOL, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 20 (mM) | |
| 2 | 1 | drop | 30 (mM) | ||
| 3 | 1 | drop | dithiothreitol | 5 (mM) | |
| 4 | 1 | drop | protein | 8 (mg/ml) | |
| 5 | 1 | reservoir | ammonium sulfate | 28-32 (%sat) | |
| 6 | 1 | reservoir | sodium acetate | 100 (mM) | |
| 7 | 1 | reservoir | MPD | 1-2 (%(v/v)) |
