1L8S
CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + LPC-ether + ACETATE + PHOSPHATE IONS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-06-17 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 |
| Unit cell lengths | 65.166, 65.166, 62.963 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 1.550 |
| Rwork | 0.183 |
| R-free | 0.24900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.028 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.062 * | 0.360 * |
| Total number of observations | 266326 * | |
| Number of reflections | 43050 | |
| <I/σ(I)> | 17 | 2.7 |
| Completeness [%] | 99.0 * | 95.9 |
| Redundancy | 6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | PEG 4000, CALCIUM CHLORIDE, PAF, SODIUM ACETATE, SODIUM PHOSPHATE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 25K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PLA2 | 15 (mg/ml) | |
| 2 | 1 | drop | enzyme | 1.1 (mM) | |
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | drop | PAF | 3.9 (mM) | |
| 5 | 1 | drop | PEG3500 | 25 (%) | |
| 6 | 1 | drop | sodium acetate | 0.1 (M) | |
| 7 | 1 | drop | 0.2 (M) | pH4.6 |
