6X6V
Crystal structure of inactive enzymatic binary toxin component from Clostridium difficile in complex with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 |
| Unit cell lengths | 82.770, 101.100, 104.330 |
| Unit cell angles | 98.80, 112.36, 106.72 |
Refinement procedure
| Resolution | 38.910 - 2.420 |
| R-factor | 0.2076 |
| Rwork | 0.206 |
| R-free | 0.23450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wn4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.910 | 2.470 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 114511 | 17202 |
| <I/σ(I)> | 2.85 | |
| Completeness [%] | 98.9 | |
| Redundancy | 1.97 | |
| CC(1/2) | 0.957 | 0.340 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 1.2 M Sodium dihydrogen phosphate/0.8 M dipotassium hydrogen phosphate, 0.2 M Lithium sulfate, 0.1 M CAPS pH 10.5 |
