8R5M
E-selectin complexed with glycomimetic ligand DS0567
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 | 2015-09-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99986 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.450, 73.220, 52.240 |
| Unit cell angles | 90.00, 94.38, 90.00 |
Refinement procedure
| Resolution | 52.090 - 2.490 |
| R-factor | 0.2113 |
| Rwork | 0.210 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.220 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.090 | 2.580 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmeas | 0.098 | 1.360 |
| Rpim | 0.052 | 0.736 |
| Number of reflections | 11976 | 1115 |
| <I/σ(I)> | 9.6 | 1 |
| Completeness [%] | 96.7 | 90.7 |
| Redundancy | 3.5 | 3.2 |
| CC(1/2) | 0.999 | 0.588 |
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 |
