4KZW
Structure of the carbohydrate-recognition domain of the C-type lectin mincle
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 | 2012-12-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97945 |
Spacegroup name | P 65 |
Unit cell lengths | 64.290, 64.290, 127.160 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.720 - 1.850 |
R-factor | 0.182 |
Rwork | 0.179 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.027 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.720 | 33.725 | 1.950 |
High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
Rmerge | 0.019 | 0.420 | |
Total number of observations | 7766 | 38428 | |
Number of reflections | 24890 | ||
<I/σ(I)> | 33.4 | 28.5 | 1.9 |
Completeness [%] | 98.2 | 95.9 | 97.8 |
Redundancy | 10.4 | 10 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | Protein: 3.5 mg/ml mincle, 2.5 mM CaCl2, 10 mM Tris-Cl, pH 8.0, 25 mM NaCl. Reservoir: 20% polyethylene glycol 4,000, 20% 2-propanol and 0.1 M sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |