4C2S
Crystal structure of the fucosylgalactoside alpha N- acetylgalactosaminyltransferase (GTA P156L mutant) in complex with UDP and deoxy-H-antigen acceptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-10 |
Detector | MARRESEARCH 165 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 147.510, 52.610, 80.270 |
Unit cell angles | 90.00, 89.97, 90.00 |
Refinement procedure
Resolution | 36.880 - 2.480 |
R-factor | 0.14693 |
Rwork | 0.145 |
R-free | 0.18203 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y7a |
RMSD bond length | 0.015 |
RMSD bond angle | 1.376 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.500 | 2.590 |
High resolution limit [Å] | 2.460 | 2.460 |
Rmerge | 0.130 | 0.320 |
Number of reflections | 21693 | |
<I/σ(I)> | 11.6 | 3.2 |
Completeness [%] | 96.8 | 78 |
Redundancy | 3.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 5 MM MOPS PH 7.0, 1 MM MNCL2, 1 MM DTT, 0.1 M AMSO4, 10% (W/V) PEG 3350 |