7BB4
Crystal structure of perdeuterated PLL lectin in complex with L-fucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 72.839, 88.302, 158.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.820 - 1.700 |
| R-factor | 0.1731 |
| Rwork | 0.172 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c9o |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.879 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.100 | 0.360 |
| Number of reflections | 55209 | 2949 |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 98.0 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.990 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Na/K tartrate dissolved in D2O, co-crystallized with 50 mM L-fucose dissolved in D2O |
