2XR6
Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 71.330, 71.330, 52.666 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.440 - 1.350 |
| R-factor | 0.14808 |
| Rwork | 0.147 |
| R-free | 0.16786 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2it6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.791 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.440 | 1.430 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.060 | 0.420 |
| Number of reflections | 30348 | |
| <I/σ(I)> | 20.13 | 4.82 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.34 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | VAPOR DIFFUSION, HANGING DROP, 293K. 35% PEG 3350, 200MM NACL, 100MM CACODYLATE PH 6.5, CRYOPROTECTED IN PARATONE-N |
