2RJ6
B-specific alpha-1,3-galactosyltransferase G176R S235G mutant (AABB) + H-antigen disaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-23 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.520, 149.060, 79.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.410 |
| R-factor | 0.216 |
| Rwork | 0.215 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.232 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.4SSI) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 19.900 | 1.460 |
| High resolution limit [Å] | 1.410 | 3.030 | 1.410 |
| Rmerge | 0.037 | 0.020 | 0.315 |
| Total number of observations | 29563 | 14902 | |
| Number of reflections | 58216 | ||
| <I/σ(I)> | 21.1 | 62.4 | 3.4 |
| Completeness [%] | 96.2 | 89.3 | 84.6 |
| Redundancy | 4.18 | 5.06 | 2.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7.5 | 298 | PEG4000 Glycerol MgCl NH2SO4, pH 7.5, hanging drop, temperature 298K |
