6X6R
Crystal structure of C.difficile ribosyltransferase CDTa in complex with pCl-phenylthioDADMeImmA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 154.442, 76.066, 100.227 |
| Unit cell angles | 90.00, 122.10, 90.00 |
Refinement procedure
| Resolution | 38.360 - 2.020 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6x41 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.360 | 2.060 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Number of reflections | 63872 | 4072 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 98.1 | |
| Redundancy | 5.3 | |
| CC(1/2) | 0.977 | 0.319 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M Potassium Sodium tartrate, 20%(w/v) PEG 3350 |
