1I6W
THE CRYSTAL STRUCTURE OF BACILLUS SUBTILIS LIPASE: A MINIMAL ALPHA/BETA HYDROLASE ENZYME
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-12-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.639, 83.201, 95.752 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.500 |
| R-factor | 0.177 |
| Rwork | 0.181 |
| R-free | 0.20600 |
| Structure solution method | MIR |
| Starting model (for MR) | none |
| RMSD bond length | 0.005 |
| RMSD bond angle | 25.000 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | DM |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.076 * | 0.280 * |
| Total number of observations | 689356 * | |
| Number of reflections | 41851 * | |
| <I/σ(I)> | 20.8 | 2.7 |
| Completeness [%] | 82.4 | 30.6 |
| Redundancy | 16.5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 10 | 293 | PEG 4000, ethanol amine, sodium sulphate, cadmium chloride, pH 10.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | glycine | 2-6 (mM) | |
| 3 | 1 | reservoir | 3 (mM) | ||
| 4 | 1 | reservoir | PEG4000 | 35 (%) | |
| 5 | 1 | reservoir | etanol amine | 0.1 (M) | |
| 6 | 1 | reservoir | 20 (mM) |
