1LE7
CARBOXYLIC ESTER HYDROLASE, C 2 2 21 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 | 2001-08-27 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 139.058, 145.098, 28.086 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 * - 2.090 |
| R-factor | 0.214 |
| Rwork | 0.211 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1le6 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.140 * |
| 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] | 24.500 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 | |
| Total number of observations | 184444 * | |
| Number of reflections | 19931 * | |
| <I/σ(I)> | 21 | 2.3 |
| Completeness [%] | 95.8 | 78 |
| Redundancy | 4.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 25 * | PEG3500, MPD, ETHYLENE GLYCOL, MJ33, CALCIUM CHLORIDE, HEPES BUFFER, pH 7.4, 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 |
