9RAK
E-selectin complexed with glycomimetic ligand GMI-1077
This is a non-PDB format compatible entry.
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 | 2012-10-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.998, 58.203, 65.730 |
| Unit cell angles | 96.63, 99.19, 90.45 |
Refinement procedure
| Resolution | 29.920 - 1.900 |
| R-factor | 0.1908 |
| Rwork | 0.189 |
| R-free | 0.23330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| 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] | 29.920 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.630 |
| Rmeas | 0.085 | 0.750 |
| Rpim | 0.040 | 0.400 |
| Number of reflections | 56271 | 5302 |
| <I/σ(I)> | 12 | 1.8 |
| Completeness [%] | 96.4 | 90.5 |
| Redundancy | 3.4 | 3.2 |
| CC(1/2) | 0.998 | 0.688 |
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 |
