6EYK
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV355
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.520, 73.080, 52.450 |
| Unit cell angles | 90.00, 94.19, 90.00 |
Refinement procedure
| Resolution | 46.630 - 2.210 |
| R-factor | 0.23 |
| Rwork | 0.229 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c16 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.630 | 2.290 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.055 | 1.030 |
| Number of reflections | 17093 | 1430 |
| <I/σ(I)> | 14.9 | 1 |
| Completeness [%] | 96.4 | 81 |
| Redundancy | 6.4 | 4.2 |
| CC(1/2) | 0.999 | 0.601 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M CaCl2, 0.1 M Mops pH 6.2, 11-14% PEG8000, after microseeding |
