8V9Q
Crystal structure of mGalNAc-T1 in complex with the mucin glycopeptide Muc5AC-13, Mn2+, and UDP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2023-02-10 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.635, 72.761, 148.498 |
| Unit cell angles | 90.00, 95.44, 90.00 |
Refinement procedure
| Resolution | 29.900 - 2.290 |
| R-factor | 0.2494 |
| Rwork | 0.248 |
| R-free | 0.27770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.699 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.340 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rpim | 0.068 | 0.545 |
| Number of reflections | 55051 | 86 |
| <I/σ(I)> | 10 | 1 |
| Completeness [%] | 96.6 | 86 |
| Redundancy | 3.5 | 2.3 |
| CC(1/2) | 0.982 | 0.410 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% PEG 3350 and 0.1 M MES pH 6.5 |
