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 |