4C16
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic antagonist
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 | 2012-02-06 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.582, 56.917, 59.684 |
| Unit cell angles | 74.40, 87.11, 88.26 |
Refinement procedure
| Resolution | 15.810 - 1.930 |
| R-factor | 0.183 |
| Rwork | 0.180 |
| R-free | 0.23240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1G1S 3gov 1h04 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.430 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.040 | 0.260 |
| Number of reflections | 50213 | |
| <I/σ(I)> | 9.3 | 2 |
| Completeness [%] | 92.5 | 90.7 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | PEG8000, HEPES, MOPS PH 6.2, CACL2, ANTAGONIST |
