1R50
Bacillus subtilis lipase A with covalently bound Sc-IPG-phosphonate-inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-09-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9330 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.594, 83.591, 95.082 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 1.450 |
| Rwork | 0.196 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Bacillus subtilis lipase A |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.228 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 48857 | |
| <I/σ(I)> | 27.3 | 2.2 |
| Completeness [%] | 85.6 | 35.4 |
| Redundancy | 7.1 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10 | 298 | PEG 4000, ETHANOL AMINE, SODIUM SULPHATE, CADMIUM CHLORIDE, pH 10, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
