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 |