3ICW
Structure of a Circular Permutation on Lipase B from Candida Antartica with Bound Suicide Inhibitor
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 | 2006-10-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 111.746, 111.746, 54.806 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.800 - 1.690 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB CODE 1LBT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.500 |
| 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] | 27.800 | 1.750 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.121 | 0.473 |
| Number of reflections | 44608 | |
| <I/σ(I)> | 14.4 | 4.2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 12.8 | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 289 | 20% PEG 3350, 0.2M SODIUM DIHYDROGEN PHOSPHATE, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
