6EYJ
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV354
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 | 2014-11-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.580, 71.040, 92.160 |
| Unit cell angles | 90.00, 93.73, 90.00 |
Refinement procedure
| Resolution | 56.220 - 2.200 |
| R-factor | 0.221 |
| Rwork | 0.219 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c16 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.120 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.220 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.180 | 0.809 |
| Number of reflections | 33972 | 3343 |
| <I/σ(I)> | 7.5 | 1.5 |
| Completeness [%] | 98.3 | 97.1 |
| Redundancy | 3.4 | 4 |
| CC(1/2) | 0.982 | 0.612 |
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 |
