4YLZ
Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lacto-N-neotetraose (LNnT)
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 | 45.083, 127.640, 45.102 |
Unit cell angles | 90.00, 96.05, 90.00 |
Refinement procedure
Resolution | 44.850 - 2.100 |
R-factor | 0.2082 |
Rwork | 0.205 |
R-free | 0.26540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ojb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.355 |
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] | 44.850 | 44.850 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.094 | 0.044 | 0.139 |
Rpim | 0.038 | 0.025 | 0.080 |
Total number of observations | 164090 | 1528 | 9774 |
Number of reflections | 29532 | ||
<I/σ(I)> | 19.5 | 19.1 | 14.6 |
Completeness [%] | 99.8 | 99.1 | 99.8 |
Redundancy | 5.6 | 3.9 | 4 |
CC(1/2) | 0.996 | 0.998 | 0.959 |
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 |