7N41
Crystal structure of TagA with UDP-ManNAc
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 | 2021-04-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 113.640, 113.640, 118.550 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 98.420 - 3.300 |
R-factor | 0.1976 |
Rwork | 0.195 |
R-free | 0.25370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7mpk |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 98.420 | 98.420 | 3.390 |
High resolution limit [Å] | 3.300 | 14.760 | 3.300 |
Rmerge | 0.074 | 0.033 | 1.196 |
Rmeas | 0.080 | 0.037 | 1.288 |
Total number of observations | 100887 | ||
Number of reflections | 13697 | 182 | 1000 |
<I/σ(I)> | 14.74 | 39.11 | 1.47 |
Completeness [%] | 99.9 | 98.9 | 99.8 |
Redundancy | 7.366 | 6.434 | 7.227 |
CC(1/2) | 0.999 | 0.998 | 0.648 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 10% PEG-8000, 20% ethylene glycol, 0.05M Tris, 0.04 Potassium phosphate monobasic |