4Q56
Structure of Helix aspersa agglutinin with natural glycosylation and N-acetyl-alpha-D-galactosamine (GalNAc)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.967 |
Spacegroup name | H 3 2 |
Unit cell lengths | 47.900, 47.900, 281.530 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.920 - 1.380 |
R-factor | 0.13788 |
Rwork | 0.137 |
R-free | 0.16782 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ccv |
RMSD bond length | 0.017 |
RMSD bond angle | 2.013 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.920 | 1.480 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.034 | 0.011 |
Number of reflections | 25294 | |
<I/σ(I)> | 29.35 | 2.54 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.54 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.05 M Zn(CH3COO)2, 0.1 M HEPES, pH 7.0, 40% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K |