2NW6
Burkholderia cepacia lipase complexed with S-inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-09-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.542 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.015, 46.584, 84.244 |
| Unit cell angles | 90.00, 121.05, 90.00 |
Refinement procedure
| Resolution | 23.580 - 1.800 |
| R-factor | 0.185 |
| Rwork | 0.175 |
| R-free | 0.21300 |
| Structure solution method | ISOMORPHOUS TO 1HQD |
| Starting model (for MR) | 1hqd |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.580 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.058 | 0.270 |
| Number of reflections | 27385 | |
| <I/σ(I)> | 21 | 4.8 |
| Completeness [%] | 94.7 | 84.3 |
| Redundancy | 3.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1M Sodium Citrate, 40% MPD, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
