1YS2
Burkholderia cepacia lipase complexed with hexylphosphonic acid (S) 2-methyl-3-phenylpropyl ester
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.930, 46.233, 84.729 |
| Unit cell angles | 90.00, 121.35, 90.00 |
Refinement procedure
| Resolution | 37.800 - 1.500 |
| R-factor | 0.15115 |
| Rwork | 0.151 |
| R-free | 0.16250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lip |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.349 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 37.800 |
| High resolution limit [Å] | 1.500 |
| Number of reflections | 42707 |
| <I/σ(I)> | 19 |
| Redundancy | 3.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 50 mM imidazole, 30% n-propanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
