4D6E
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the blood group A-trisaccharide (X01 mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.270, 153.750, 96.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.800 - 1.450 |
| R-factor | 0.12622 |
| Rwork | 0.125 |
| R-free | 0.15897 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wmi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.346 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.130 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 119839 | |
| <I/σ(I)> | 16.9 | 3.4 |
| Completeness [%] | 98.8 | 99.9 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 15% PEG 3350, 0.2M AMMONIUM SULFATE, 0.1M SODIUM ACETATE TRIHYDRATE PH 4.8 |
