6F6Y
Crystal structure of galectin-3 CRD in complex with galactopentaose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.060, 58.200, 62.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.699 - 1.410 |
R-factor | 0.1183 |
Rwork | 0.116 |
R-free | 0.15330 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3zsk |
RMSD bond length | 0.005 |
RMSD bond angle | 1.240 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.700 | 1.490 |
High resolution limit [Å] | 1.410 | 1.410 |
Rmerge | 0.053 | 0.351 |
Number of reflections | 25876 | |
<I/σ(I)> | 19.8 | |
Completeness [%] | 98.2 | 90.2 |
Redundancy | 5.9 | 4.2 |
CC(1/2) | 0.999 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 19 mg/ml Gal3C in 10 mM sodium phosphate buffer pH 7.5, 100 mM NaCl, 10 mM beta-mercaptoethanol, 0.02 % NaN3. 3.5 microlitres Gal3C were mixed with 3.5 microlitres 100 mM galactopentaose solution and incubated on ice for one hour. Crystals were obtained in 30% w/v PEG 4000, 0.1 M Tris/HCl pH 7.5, 0.1M MgCl2, 0.4M NaSCN, 8 mM beta-mercaptoethanol. Cryoprotectant contained an additional 11% glycerol. |