7PSY
X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2019-09-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.600, 72.989, 55.190 |
| Unit cell angles | 90.00, 94.58, 90.00 |
Refinement procedure
| Resolution | 36.530 - 0.900 |
| R-factor | 0.1166 |
| Rwork | 0.116 |
| R-free | 0.13130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gzt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.107 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.500 | 0.920 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Number of reflections | 270061 | 5821 |
| <I/σ(I)> | 16.3 | |
| Completeness [%] | 87.6 | |
| Redundancy | 6.1 | |
| CC(1/2) | 1.000 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Tris/DCl, pD 7.1, 20% (w/v) PEG 4000 |
