9EVI
Crystal structure of candida antarctica lipase B with the putative pro-peptide region
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-20 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.344, 80.985, 73.993 |
| Unit cell angles | 90.00, 98.30, 90.00 |
Refinement procedure
| Resolution | 46.850 - 1.450 |
| R-factor | 0.1375 |
| Rwork | 0.136 |
| R-free | 0.16790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.812 |
| Refinement software | PHENIX ((1.17.1_3660)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.370 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.047 | 0.642 |
| Rmeas | 0.053 | |
| Rpim | 0.024 | |
| Number of reflections | 129759 | 279 |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 73.5 | 3.03 |
| Redundancy | 4.4 | 1 |
| CC(1/2) | 0.999 | 0.387 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295.15 | 0.2 M potassium sodium tartrate tetrahydrate; 0.1 M Bis-Tris propane, pH 7.5; 25 % w/v PEG 3350 |
