3ZGG
Crystal structure of the Fucosylgalactoside alpha N- acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with NPE caged UDP-Gal (C222(1) space group)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-06-26 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.687, 150.730, 79.359 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.180 - 1.900 |
R-factor | 0.18565 |
Rwork | 0.184 |
R-free | 0.22615 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ioh |
RMSD bond length | 0.009 |
RMSD bond angle | 1.340 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.740 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.100 | 0.390 |
Number of reflections | 24091 | |
<I/σ(I)> | 9.4 | 3 |
Completeness [%] | 95.5 | 80.6 |
Redundancy | 4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 7-12% POLYETHYLENE GLYCOL 3350, 0.1 - 0.3 M AMMONIUM SULPHATE, 0.05 M MNCL2, 0.05 M MOPS PH 7.0 |