4AYJ
Molecular structure of a metal-independent bacterial glycosyltransferase that catalyzes the synthesis of histo-blood group A antigen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-07 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.850, 93.870, 75.510 |
| Unit cell angles | 90.00, 93.82, 90.00 |
Refinement procedure
| Resolution | 70.693 - 3.000 |
| R-factor | 0.185 |
| Rwork | 0.181 |
| R-free | 0.26190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ayl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.429 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.700 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.130 | 0.500 |
| Number of reflections | 18669 | |
| <I/σ(I)> | 9.3 | 2.6 |
| Completeness [%] | 94.1 | 93.7 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | BOGT6A (4 MG/ML) AND SACCHARIDE (10 MM) WERE INCUBATED OVERNIGHT AT 16 DEG C AND CRYSTALS WERE GROWN IN A WELL SOLUTION CONTAINING 20 % PEG 3350, 0.1 M BIS-TRIS PROPANE, PH 8.5 AND 0.2 M NA/K TARTRATE |
