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 |