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 |