4D6G
Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the blood group A-trisaccharide (L19 mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.250, 154.020, 96.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.330 - 1.240 |
| R-factor | 0.11764 |
| Rwork | 0.117 |
| R-free | 0.13274 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wmi |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.446 |
| 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 | 1.310 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.040 | 0.310 |
| Number of reflections | 192579 | |
| <I/σ(I)> | 20.6 | 4.7 |
| Completeness [%] | 99.6 | 98 |
| Redundancy | 4.5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 15% PEG 3350, 0.2M AMMONIUM SULFATE, 0.1M SODIUM ACETATE PH 4.8 |
