5AJO
Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-3,13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 41 |
| Unit cell lengths | 87.203, 87.203, 179.074 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.540 - 1.480 |
| R-factor | 0.15824 |
| Rwork | 0.158 |
| R-free | 0.18060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d0t |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.613 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.060 | 0.540 |
| Number of reflections | 110205 | |
| <I/σ(I)> | 18.6 | 2.3 |
| Completeness [%] | 99.6 | 97.5 |
| Redundancy | 8.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
