6BJJ
Human ABO(H) blood group glycosyltransferase GTB D302A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2006-11-24 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.690, 150.320, 78.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.160 - 1.450 |
R-factor | 0.1846 |
Rwork | 0.184 |
R-free | 0.19990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lz7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.435 |
Data reduction software | CrystalClear |
Data scaling software | d*TREK (9.4SSI) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.890 | 19.890 | 1.500 |
High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
Rmerge | 0.029 | 0.017 | 0.303 |
Rmeas | 0.029 | ||
Total number of observations | 239861 | 28180 | 19203 |
Number of reflections | 55649 | 5614 | 5540 |
<I/σ(I)> | 21.1 | 69.7 | 3.6 |
Completeness [%] | 99.5 | 96.1 | 100 |
Redundancy | 4.28 | 4.92 | 3.45 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 277 | Spontaneous crystals were recovered from concentrated stocks of GTB/D302A (68 mg/mL) stored in 50 mM MOPS, pH 7.00, 0.1 M sodium chloride, 1 mM DTT, 5 mM manganese chloride, and kept at 277 K. |