1LBS
LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLASE)
Experimental procedure
| Detector technology | AREA DETECTOR |
| Collection date | 1991-05-20 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 229.500, 95.600, 86.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.500 - 2.600 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.25500 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 25.000 * |
| Data reduction software | MADNES |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 2.600 | 2.600 * |
| Rmerge | 0.050 | 0.191 * |
| Total number of observations | 55714 * | |
| Number of reflections | 26271 | |
| Completeness [%] | 83.0 | 55 * |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | THIS STRUCTURE WAS BUILT USING DATA COLLECTED ON ONE CRYSTAL. THE CRYSTAL SUFFERED FROM MEROHEDRAL TWINNING, WHERE TWO TWIN COMPONENTS CONTRIBUTE TO DIFFERENT DEGREES TO THE DIFFRACTION INTENSITIES. THE DATA SET WAS MODIFIED TO REMOVE THE CONTRIBUTION FROM THE MINOR TWIN COMPONENT, BEFORE THE REFINEMENT. THE MODIFICATION IS CARRIED OUT BY REMOVAL OF SOME REFLECTIONS AND BY INTENSITY CORRECTIONS OF OTHERS. THE DEPOSITED STRUCTURE FACTORS HAVE BEEN MODIFIED. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.3 (M) | |
| 2 | 1 | reservoir | sodium citrate | 0.1 (M) | |
| 3 | 1 | reservoir | dioxane | 10 (%) | |
| 4 | 1 | drop | protein | 7.1 (mg/ml) | |
| 5 | 1 | drop | beta-octylglucoside | 0.57 (%) | |
| 6 | 1 | drop | ammonium sulfate | 0.19 (M) | |
| 7 | 1 | drop | sodium citrate | 0.014 (M) | |
| 8 | 1 | drop | dioxane | 1.4 (%) |
