4KD6
Crystal structure of a Enoyl-CoA hydratase/isomerase from Burkholderia graminis C4D1M
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 63 |
Unit cell lengths | 118.481, 118.481, 38.932 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.780 - 2.250 |
R-factor | 0.18161 |
Rwork | 0.179 |
R-free | 0.22969 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 2.034 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.106 | 0.360 |
Number of reflections | 15059 | |
<I/σ(I)> | 20.4 | 2 |
Completeness [%] | 99.6 | 97.4 |
Redundancy | 20.1 | 16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 35% Dioxane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |