6PXU
Crystal structure of human GalNAc-T12 bound to a diglycosylated peptide, 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 | 2017-06-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.820, 73.123, 74.441 |
| Unit cell angles | 113.08, 100.50, 108.23 |
Refinement procedure
| Resolution | 20.027 - 2.007 |
| R-factor | 0.1734 |
| Rwork | 0.171 |
| R-free | 0.21890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ffu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.981 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.030 | 2.030 |
| High resolution limit [Å] | 2.007 | 2.007 |
| Rmeas | 0.197 | |
| Rpim | 0.100 | 0.903 |
| Number of reflections | 163130 | 3795 |
| <I/σ(I)> | 4.7 | |
| Completeness [%] | 97.0 | 89.5 |
| Redundancy | 1 | 3.1 |
| CC(1/2) | 0.339 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M sodium chloride, 20% w/v PEG3350 |
