3V0Q
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with UDP and H-antigen acceptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97917 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 78.100, 153.670, 52.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.937 - 1.800 |
R-factor | 0.1524 |
Rwork | 0.151 |
R-free | 0.19060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rit |
RMSD bond length | 0.008 |
RMSD bond angle | 1.208 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.900 |
High resolution limit [Å] | 1.800 | 15.000 | 1.800 |
Rmerge | 0.114 | 0.037 | 0.655 |
Number of reflections | 59045 | 68 | 8738 |
<I/σ(I)> | 11.81 | 29.67 | 2.45 |
Completeness [%] | 99.1 | 47.6 | 99.4 |
Redundancy | 5.2 | 2.1 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 50 mM MOPS pH 7, 50-200 mM AMMONIUM SULFATE, 50 mM MnCl2, AND 6-9% PEG-3350 , VAPOR DIFFUSION, HANGING DROP, temperature 295K |