3A70
Crystal structure of Pseudomonas sp. MIS38 lipase in complex with diethyl phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 104.297, 104.297, 496.182 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.910 - 2.150 |
| R-factor | 0.17273 |
| Rwork | 0.170 |
| R-free | 0.22209 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zvd |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.878 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.124 | 0.378 |
| Number of reflections | 88120 | |
| <I/σ(I)> | 13.5 | 3.44 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 5.2 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1M Tris-HCl, pH8.5, 0.2M ammonium acetaet, 30% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
