6EYI
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669
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 | 2011-11-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.590, 72.940, 52.520 |
| Unit cell angles | 90.00, 94.16, 90.00 |
Refinement procedure
| Resolution | 20.760 - 2.040 |
| R-factor | 0.225 |
| Rwork | 0.224 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c16 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.080 |
| 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] | 57.300 | 2.120 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.148 | 0.849 |
| Number of reflections | 21493 | 2035 |
| <I/σ(I)> | 16.1 | 1.9 |
| Completeness [%] | 95.6 | 92.2 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.966 | 0.795 |
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 |
