2I7B
Structure of the naturally occuring mutant of human ABO(H) Blood group B glycosyltransferase: GTB/A268T
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-05-27 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.540, 148.950, 80.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.990 |
| R-factor | 0.18713 |
| Rwork | 0.185 |
| R-free | 0.23063 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lz7 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.697 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.060 | 0.296 |
| Number of reflections | 21267 | |
| <I/σ(I)> | 12.9 | 4.2 |
| Completeness [%] | 96.9 | 99.4 |
| Redundancy | 4.86 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6-8 mg/ml GTB/A268T, 70 mM N-(2-acetamido)-2-iminodiacetic acid (ADA), pH 7.5, 50 mM CH3COONa, pH 4.6, 40 mM NaCl, 5-8 mM MnCl2, 2.5% (w/v) 2-methyl-2,4-pentanediol (MPD), 5% (w/v) glycerol, 2% (w/v) PEG 4000 and 0.3-0.5 mM |
