3ICV
Structural Consequences of a Circular Permutation on Lipase B from Candida Antartica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2007-10-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 111.680, 111.680, 54.997 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.810 - 1.490 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lbt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | GLRF |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.810 | 1.540 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.077 | 0.345 |
| Number of reflections | 64040 | |
| <I/σ(I)> | 23.3 | 7.2 |
| Completeness [%] | 99.1 | 98.5 |
| Redundancy | 10.5 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 25% PEG 3350, 0.1M BIS-TRIS, 0.2M SODIUM CHLORIDE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
