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 |