4N33
Structure of langerin CRD complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3
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 | PIXEL |
Collection date | 2012-01-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97945 |
Spacegroup name | P 42 |
Unit cell lengths | 79.420, 79.420, 91.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.440 - 1.850 |
R-factor | 0.1755 |
Rwork | 0.173 |
R-free | 0.21820 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3p5g |
RMSD bond length | 0.008 |
RMSD bond angle | 1.098 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.440 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 47282 | |
<I/σ(I)> | 27.8 | |
Completeness [%] | 97.6 | 97.5 |
Redundancy | 6.9 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | Protein solution: 2.3-4.0 mg/mL langerin, 2.5 mM CaCl2, 10-100 mM Tris (pH 8.0), 25 mM NaCl and 15mM TR54. The reservoir solution contained 0.1 M HEPES, 0.1-0.2 M MgCl2, and 20-35% polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K |