6IUM
Crystal structure of enoyl-CoA hydratase (ECH) from Ralstonia eutropha H16
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 91.260, 103.154, 97.693 |
Unit cell angles | 90.00, 107.02, 90.00 |
Refinement procedure
Resolution | 93.410 - 2.000 |
R-factor | 0.1783 |
Rwork | 0.176 |
R-free | 0.22860 |
Structure solution method | SAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.884 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 93.420 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 116041 | 5392 |
<I/σ(I)> | 20.45 | |
Completeness [%] | 96.6 | |
Redundancy | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% (w/v) PEG 8000, 100 mM HEPES/Sodium hydroxide pH 7.5 |