1AUR
PMSF-INHIBITED CARBOXYLESTERASE FROM PSEUDOMONAS FLUORESCENS
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1992-03 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 81.490, 81.490, 144.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.25400 |
| Structure solution method | MULTIPLE ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.400 |
| Data reduction software | PROCOR |
| Data scaling software | FSSCALE |
| Phasing software | X-PLOR (3.843) |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 99.000 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.043 |
| Number of reflections | 15245 |
| Completeness [%] | 88.5 |
| Redundancy | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | HEPES | 0.10 (M) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.4 (M) | |
| 3 | 1 | reservoir | lithium sulfate | 0.20 (M) | |
| 4 | 1 | reservoir | dioxane | 4.0 (%(v/v)) | |
| 5 | 1 | drop | n-propanol | 0.10 (M) | |
| 6 | 1 | drop | PMSF inhibitor |
