5DUV
Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with lactose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-15 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.920, 64.750, 64.470 |
Unit cell angles | 90.00, 91.26, 90.00 |
Refinement procedure
Resolution | 37.240 - 1.900 |
R-factor | 0.1574 |
Rwork | 0.155 |
R-free | 0.19870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3i8t |
RMSD bond length | 0.006 |
RMSD bond angle | 1.063 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.240 | 37.240 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.078 | 0.043 | 0.267 |
Rpim | 0.044 | 0.025 | 0.177 |
Total number of observations | 161697 | 1425 | 6854 |
Number of reflections | 40168 | ||
<I/σ(I)> | 12.2 | 18.4 | 4.1 |
Completeness [%] | 98.1 | 98.7 | 82.1 |
Redundancy | 4 | 3.6 | 3.2 |
CC(1/2) | 0.997 | 0.997 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293.15 | 0.2 M calcium acetate, 20 % w/v PEG 3350 |