3P5I
Structure of the carbohydrate-recognition domain of human Langerin with 6-SO4-Gal-GlcNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-02 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97945 |
Spacegroup name | P 42 |
Unit cell lengths | 79.810, 79.810, 90.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.905 - 1.800 |
R-factor | 0.181 |
Rwork | 0.178 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.084 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.920 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.065 | 0.281 |
Number of reflections | 52682 | |
<I/σ(I)> | 18.6 | 6.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.7 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | protein solution: 2.5 mg/mL langerin CRD, 1.25 mM CaCl2, 5 mM Tris pH 8.0, 12.5 mM NaCl and 7.5 mM 6SO4-Gal-GlcNAc. reservoir solution: 0.1 M Hepes pH 7.0, 0.1 M MgCl2 and 25% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |