4YM2
Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lactose-3'-sulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.224, 129.208, 45.233 |
Unit cell angles | 90.00, 96.88, 90.00 |
Refinement procedure
Resolution | 42.420 - 2.100 |
R-factor | 0.163 |
Rwork | 0.161 |
R-free | 0.21030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ojb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.346 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.6) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.910 | 44.910 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.111 | 0.034 | 0.181 |
Rpim | 0.045 | 0.020 | 0.107 |
Total number of observations | 161411 | 1617 | 9047 |
Number of reflections | 29564 | ||
<I/σ(I)> | 12.5 | 21.5 | 6.4 |
Completeness [%] | 98.4 | 98.4 | 96.8 |
Redundancy | 5.5 | 4 | 3.7 |
CC(1/2) | 0.995 | 0.997 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293.15 | 1.2 M ammonium sulfate, 0.1 M HEPES, 4 % v/v PEG 400 |