1FX9
CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + SULPHATE IONS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-05-22 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 31 |
| Unit cell lengths | 64.987, 64.987, 62.766 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.171 * |
| Rwork | 0.171 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p2p |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.023 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.440 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.068 * | 0.431 |
| Total number of observations | 122013 * | |
| Number of reflections | 19393 | |
| <I/σ(I)> | 17.3 | 2.9 |
| Completeness [%] | 96.5 | 98.3 |
| Redundancy | 6.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.6 | 25 * | 25% PEG3500, 0.2 M SODIUM SULPHATE, 0.1 M SODIUM ACETATE BUFFER, PH 4.6, EVAPORATION, 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 | MJ33 | 3 (mM) | |
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | drop | PEG3350 | 25 (%) | |
| 5 | 1 | drop | sodium acetate | 0.1 (M) | |
| 6 | 1 | drop | ammonium sulfate | 0.2 (M) |
