5AJN
Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-Cys13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Spacegroup name | I 41 |
| Unit cell lengths | 87.351, 87.351, 178.433 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.450 - 1.670 |
| R-factor | 0.19666 |
| Rwork | 0.196 |
| R-free | 0.23216 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d0t |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.027 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.100 | 0.650 |
| Number of reflections | 76947 | |
| <I/σ(I)> | 11.3 | 3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 8.9 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
