4USO
X-ray structure of the CCL2 lectin in complex with sialyl lewis X
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-25 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 121.680, 121.680, 144.907 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.850 - 1.950 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.20433 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2lie |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.608 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.230 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.050 | 0.420 |
| Number of reflections | 46087 | |
| <I/σ(I)> | 18 | 4.4 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 6.3 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | MIDAS 2-28. 30% GLYCEROL ETHOXYLATE AND 0.1M TRIS PH 8.5 |
