9L4M
Structure of bifunctional Ylehd at pH 8 from Yarrowia lipolytica
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 | 2020-01-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976238 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.330, 58.300, 217.490 |
| Unit cell angles | 90.00, 94.64, 90.00 |
Refinement procedure
| Resolution | 72.260 - 2.200 |
| R-factor | 0.2705 |
| Rwork | 0.269 |
| R-free | 0.30610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.548 |
| Data reduction software | MOSFLM (7.0.3) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER (2.7.0) |
| Refinement software | PHENIX (v1.21.2.5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.260 | 2.279 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.051 | 0.638 |
| Rmeas | 0.903 | |
| Rpim | 0.051 | 0.638 |
| Number of reflections | 58974 | 11696 |
| <I/σ(I)> | 6.6 | 1.07 |
| Completeness [%] | 99.6 | 99.39 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.997 | 0.702 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2M Sodium Malonate, 18% PEG 3350 |
