4EIA
Activator of the 2-Hydroxyisocaproyl-CoA Dehydratase from Clostridium difficile without nucleotide
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 | 2008-07-26 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | I 41 |
Unit cell lengths | 113.136, 113.136, 56.032 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.672 - 3.000 |
R-factor | 0.1751 |
Rwork | 0.172 |
R-free | 0.23560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eht |
RMSD bond length | 0.009 |
RMSD bond angle | 1.138 |
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 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 7197 | |
<I/σ(I)> | 21.32 | 4.35 |
Completeness [%] | 99.4 | 99.7 |
Redundancy | 7.3 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 23 mg/mL protein in 50 mM MOPS, pH 7.2, 120 mM sodium chloride, 1.4 mM ADP, 9 mM magnesium chloride, 1 mM D-desthiobiotin, 6 mM DTT, 1.4 mM sodium dithionite, 100 mM sodium fluoride, 10 mM aluminum trifluoride, reservoir: 8% w/v PEG8000, 25% v/v MPD, 0.35 M sodium chloride, pH 8.5 (drop: 1 uL + 1 uL), VAPOR DIFFUSION, HANGING DROP, temperature 289K |