1LZK
BACTERIAL HEROIN ESTERASE COMPLEX WITH TRANSITION STATE ANALOG DIMETHYLARSENIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 92.7 |
| Detector technology | CCD |
| Collection date | 2002-01-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.89471 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 71.584, 71.584, 106.170 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.400 - 1.450 |
| R-factor | 0.157 |
| Rwork | 0.157 |
| R-free | 0.22300 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.260 * |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.400 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.078 | 0.653 |
| Number of reflections | 56480 | |
| <I/σ(I)> | 42.2 | 3.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 21.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microdialysis * | 6.5 | 295 | AMMONIUM SULFATE, SODIUM CHLORIDE, CACODYLATE, pH 6.5, EVAPORATION, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 6-7 (mg/ml) | |
| 2 | 1 | 2 | ammonium sulfate | 1.8 (M) | |
| 3 | 1 | 2 | 0.1 (M) | ||
| 4 | 1 | 2 | cacodylate | 0.1 (M) | pH6.5 |
