7MZQ
Crystal structure of the UcaD lectin-binding domain in complex with fucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | I 4 |
Unit cell lengths | 79.472, 79.472, 70.227 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.740 - 1.500 |
R-factor | 0.1634 |
Rwork | 0.163 |
R-free | 0.17610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | UcaD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.936 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.740 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.064 | 0.667 |
Rmeas | 0.066 | 0.694 |
Rpim | 0.018 | 0.187 |
Number of reflections | 34590 | 1653 |
<I/σ(I)> | 18.3 | 2.5 |
Completeness [%] | 99.8 | |
Redundancy | 13.8 | |
CC(1/2) | 0.999 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium citrate buffer pH 4.5-5.5, 2-3 M NaCl |