4D72
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A L19 mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU R-AXIS 4 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.250, 154.420, 97.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.680 - 2.110 |
| R-factor | 0.16995 |
| Rwork | 0.168 |
| R-free | 0.20633 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wmi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.225 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.680 | 2.220 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.130 | 0.480 |
| Number of reflections | 40205 | |
| <I/σ(I)> | 10.1 | 3.2 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 15% PEG 3350, 0.2M AMMONIUM SULFATE, 0.1M SODIUM ACETATE PH 4.8 |
