1LZL
Bacterial Heroin Esterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 95.5 |
Detector technology | CCD |
Collection date | 2002-03-24 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.94641 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 71.431, 71.431, 105.675 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.700 - 1.300 |
Rwork | 0.153 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lzk |
RMSD bond length | 0.011 |
RMSD bond angle | 2.210 * |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.700 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.042 | 0.585 |
Number of reflections | 76984 | |
<I/σ(I)> | 35.2 | 2.4 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 7.5 * | 295 | AMMONIUM SULFATE, SODIUM CHLORIDE, BES, pH 6.4, EVAPORATION, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | ammonium sulfate | 1.7 (M) | pH7.5 |
2 | 1 | 1 | 0.1 (M) | ||
3 | 1 | 1 | BES | 0.1 (M) | pH6.4 |