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 |