7MPK
Crystal structure of TagA with UDP-GlcNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-19 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9797 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 113.240, 113.240, 114.450 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 74.470 - 2.993 |
R-factor | 0.2094 |
Rwork | 0.204 |
R-free | 0.25740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wb4 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | XDS (20190315) |
Data scaling software | XSCALE (20190315) |
Phasing software | PHASER (2.8.2) |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.470 | 74.470 | 3.070 |
High resolution limit [Å] | 2.990 | 13.390 | 2.990 |
Rmerge | 0.113 | 0.055 | 0.830 |
Rmeas | 0.120 | 0.058 | 0.881 |
Total number of observations | 171310 | ||
Number of reflections | 17473 | 230 | 1243 |
<I/σ(I)> | 16.47 | 32.68 | 3.33 |
Completeness [%] | 99.7 | 99.6 | 96.5 |
Redundancy | 9.804 | 8.978 | 8.991 |
CC(1/2) | 0.998 | 0.999 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 10% PEG-8000, 8% ethylene glycol, 0.1M HEPES |