1YS1
Burkholderia cepacia lipase complexed with hexylphosphonic acid (R)-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 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.848, 46.185, 84.626 |
Unit cell angles | 90.00, 121.27, 90.00 |
Refinement procedure
Resolution | 44.420 - 1.100 |
R-factor | 0.14987 |
Rwork | 0.149 |
R-free | 0.15841 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lip |
RMSD bond length | 0.007 |
RMSD bond angle | 1.287 |
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] | 44.420 |
High resolution limit [Å] | 1.100 |
Number of reflections | 105990 |
<I/σ(I)> | 20.99 |
Completeness [%] | 89.2 |
Redundancy | 4.68 |
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 |