4EHT
Activator of the 2-Hydroxyisocaproyl-CoA dehydratase from Clostridium difficile with bound ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-26 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 66.154, 161.005, 63.576 |
Unit cell angles | 90.00, 110.75, 90.00 |
Refinement procedure
Resolution | 19.700 - 1.950 |
R-factor | 0.1771 |
Rwork | 0.176 |
R-free | 0.20510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hux |
RMSD bond length | 0.009 |
RMSD bond angle | 1.362 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 44923 | |
Completeness [%] | 99.4 | 99.7 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 25 mg/mL protein in 50 mM MOPS, pH 7.2, 0.3 M sodium chloride, 1 mM ADP, 10 mM magnesium chloride, 2.5 mM D-desthiobiotin, 2 mM DTT, 10 mM sodium dithionite, reservoir: 4 M ammonium acetate, 0.1 M Tris/HCl, pH 8.5 (drop: 2 uL + 2 uL), VAPOR DIFFUSION, HANGING DROP, temperature 289K |