4XBN
Crystal Structure of Human Galectin-3 CRD in Complex with Type 1 N-acetyllactosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97622 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.070, 57.632, 63.239 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.964 - 2.208 |
R-factor | 0.1683 |
Rwork | 0.165 |
R-free | 0.20250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nmn |
RMSD bond length | 0.005 |
RMSD bond angle | 0.996 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.290 |
High resolution limit [Å] | 2.208 | 2.208 |
Rmerge | 0.051 | 0.132 |
Number of reflections | 7191 | |
<I/σ(I)> | 33.3 | 18.2 |
Completeness [%] | 99.5 | 95.45 |
Redundancy | 7.65 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1M Tris pH8.5, 0.2M Magnesium Chloride, 30% (w/v) PEG 4000, temperature 298K |