1LE6
CARBOXYLIC ESTER HYDROLASE, P 1 21 1 SPACE GROUP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-09-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.173, 62.134, 70.368 |
| Unit cell angles | 90.00, 99.35, 90.00 |
Refinement procedure
| Resolution | 6.000 * - 1.970 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.23200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pob |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.160 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.360 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 * | |
| Total number of observations | 337721 * | |
| Number of reflections | 34475 * | |
| <I/σ(I)> | 26 | 3.2 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 25 * | PEG3500, MPD, ETHYLENE GLYCOL, CALCIUM CHLORIDE, HEPES BUFFER, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | 10 (mM) | ||
| 3 | 1 | drop | MJ33 | 3 (mM) | |
| 4 | 1 | reservoir | 10 (mM) | ||
| 5 | 1 | reservoir | PEG3500 | 12 (%) | |
| 6 | 1 | reservoir | MPD | 10 (%) | |
| 7 | 1 | reservoir | ethylene glycol | 2 (%) | |
| 8 | 1 | reservoir | HEPES | 0.2 (M) | pH7.4 |
