9FDE
Lipase calB candida antarctica with lysine ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-20 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980121 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.318, 107.476, 68.235 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 45.318 - 1.999 |
| Rwork | 0.205 |
| R-free | 0.25710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.810 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.320 | 1.910 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.146 | |
| Number of reflections | 52748 | 2665 |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 98.0 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.995 | 0.672 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | Propan-2-ol 40 % (V/V), PEG 8000 18 % (W/V), 100mM Imidazole/HCl pH 6.2 |
