4D6J
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X01 mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector | RIGAKU R-AXIS 4 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.240, 154.670, 96.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.650 - 1.980 |
| R-factor | 0.16339 |
| Rwork | 0.161 |
| R-free | 0.20598 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wmi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.192 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.650 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.150 | 0.460 |
| Number of reflections | 48464 | |
| <I/σ(I)> | 7.8 | 2.9 |
| Completeness [%] | 96.7 | 99.8 |
| Redundancy | 4.4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 15% PEG 3350, 0.2M AMMONIUM SULFATE, 0.1M SODIUM ACETATE PH 4.8 |
