5WB4
Crystal structure of the TarA wall teichoic acid glycosyltransferase
Experimental procedure
| Experimental method | MAD |
| 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 | 2017-04-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.030, 107.790, 89.440 |
| Unit cell angles | 90.00, 98.29, 90.00 |
Refinement procedure
| Resolution | 88.510 - 2.000 |
| R-factor | 0.221 |
| Rwork | 0.219 |
| R-free | 0.24600 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XSCALE |
| Data scaling software | XSCALE |
| Phasing software | SHELXDE |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 88.510 | 88.510 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.930 | 2.000 |
| Rmerge | 0.153 | 0.087 | 0.618 |
| Rmeas | 0.172 | 0.096 | 0.697 |
| Total number of observations | 906103 | ||
| Number of reflections | 189973 | 2162 | 13284 |
| <I/σ(I)> | 7.23 | 14.29 | 2.49 |
| Completeness [%] | 98.1 | 99.5 | 92.8 |
| Redundancy | 4.77 | 5.136 | 4.531 |
| CC(1/2) | 0.989 | 0.994 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 20% PEG-1000, 100mM phosphate citrate, 200mM lithium sulfate |
