4N34
Structure of langerin CRD I313 with alpha-MeGlcNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97650 |
Spacegroup name | P 42 |
Unit cell lengths | 80.060, 80.060, 90.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.800 - 1.750 |
R-factor | 0.1784 |
Rwork | 0.176 |
R-free | 0.22850 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3p5g |
RMSD bond length | 0.007 |
RMSD bond angle | 1.120 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.940 | 39.284 | 1.840 |
High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
Rmerge | 0.026 | 0.088 | |
Total number of observations | 13431 | 58774 | |
Number of reflections | 56552 | ||
<I/σ(I)> | 37.5 | 24.3 | 8.2 |
Completeness [%] | 98.7 | 96.1 | 97.9 |
Redundancy | 7.4 | 7.4 | 7.2 |
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 50mM alpha-Me-GlcNAc. The reservoir solution contained 0.1 M HEPES (pH 7.0), 0.1-0.2 M MgCl2, and 20-35% polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K |