1EX9
CRYSTAL STRUCTURE OF THE PSEUDOMONAS AERUGINOSA LIPASE COMPLEXED WITH RC-(RP,SP)-1,2-DIOCTYLCARBAMOYL-GLYCERO-3-O-OCTYLPHOSPHONATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, Hamburg |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07-29 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.470, 50.963, 110.034 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 * - 2.540 |
| R-factor | 0.1951 |
| Rwork | 0.195 |
| R-free | 0.23700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.530 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.550 | 28.550 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.119 | 0.336 |
| Total number of observations | 34304 * | |
| Number of reflections | 8772 | |
| Completeness [%] | 98.3 | 98.2 |
| Redundancy | 3.9 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 285 | MPD, calcium chloride, citrate , pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 285K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | |
| 3 | 1 | drop | beta-octylpyranoside | 1 (%) | |
| 4 | 1 | reservoir | MPD | 25 (%) | |
| 5 | 1 | reservoir | 20 (mM) | ||
| 6 | 1 | reservoir | citrate | 100 (mM) |
