1VH5
Crystal structure of a putative thioesterase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 32-ID |
| Synchrotron site | APS |
| Beamline | 32-ID |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU |
| Wavelength(s) | 0.9794, 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 79.624, 69.937, 49.662 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.270 - 1.470 * |
| Rwork | 0.188 |
| R-free | 0.22800 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (4.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.710 | 1.350 |
| High resolution limit [Å] | 1.470 * | 1.280 |
| Rmerge | 0.068 * | 0.270 * |
| Number of reflections | 47125 * | |
| <I/σ(I)> | 11.6 | 4.2 |
| Completeness [%] | 98.6 * | 91.6 * |
| Redundancy | 9.2 * | 5.3 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 10 (mM) | pH7.5 |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | methionine | 10 (mM) | |
| 4 | 1 | drop | glycerol | 10 (%) | |
| 5 | 1 | drop | dithiothreitol | 5 (mM) | |
| 6 | 1 | drop | protein | 10 (mg/ml) |
