6ZZW
Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) and CAS No 912569-62-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.459, 42.912, 103.345 |
| Unit cell angles | 90.00, 96.10, 90.00 |
Refinement procedure
| Resolution | 37.130 - 1.900 |
| R-factor | 0.1836 |
| Rwork | 0.181 |
| R-free | 0.23820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tig |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.840 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.130 | 37.130 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.134 | 0.067 | 0.531 |
| Rmeas | 0.146 | 0.073 | 0.573 |
| Rpim | 0.055 | 0.028 | 0.214 |
| Total number of observations | 175918 | 1667 | 11633 |
| Number of reflections | 25522 | 257 | 1646 |
| <I/σ(I)> | 10.2 | 16.4 | 4 |
| Completeness [%] | 98.8 | 97.6 | 98.1 |
| Redundancy | 6.9 | 6.5 | 7.1 |
| CC(1/2) | 0.994 | 0.997 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 5.5 mg/ml of protein, 1.2 M sodium citrate, 10 mM ligand at 292 K temperature and cryoprotected with 2.5 M sodium malonate |
