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 |