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 |