3U0Y
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with compound 382 and UDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-01-15 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.918 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 77.630, 152.740, 52.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.860 - 1.600 |
R-factor | 0.1667 |
Rwork | 0.166 |
R-free | 0.19390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rit |
RMSD bond length | 0.010 |
RMSD bond angle | 1.282 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.6_289) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.700 |
High resolution limit [Å] | 1.600 | 10.000 | 1.600 |
Rmerge | 0.067 | 0.022 | 0.680 |
Number of reflections | 82147 | 359 | 13130 |
<I/σ(I)> | 18.07 | 50.01 | 2.58 |
Completeness [%] | 97.7 | 82.9 | 95.5 |
Redundancy | 6.6 | 5 | 5.7 |
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, 6-9% PEG-3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K |