8R5L
E-selectin complexed with glycomimetic ligand BW850
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 | 2014-02-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00001 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.100, 72.810, 52.530 |
| Unit cell angles | 90.00, 94.11, 90.00 |
Refinement procedure
| Resolution | 46.430 - 2.200 |
| R-factor | 0.2213 |
| Rwork | 0.220 |
| R-free | 0.24060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.320 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.430 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.099 | 1.480 |
| Rpim | 0.055 | 0.721 |
| Number of reflections | 17529 | 1701 |
| <I/σ(I)> | 10.8 | 1.5 |
| Completeness [%] | 98.3 | 95.8 |
| Redundancy | 8.7 | 8.1 |
| CC(1/2) | 0.993 | 0.742 |
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 |
