4K29
Crystal structure of an enoyl-CoA hydratase/isomerase from Xanthobacter autotrophicus Py2
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 | 2013-04-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 115.052, 144.576, 129.568 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.490 - 1.660 |
R-factor | 0.18207 |
Rwork | 0.181 |
R-free | 0.19799 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.069 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.115 | 0.260 |
Number of reflections | 126795 | |
<I/σ(I)> | 16.3 | |
Completeness [%] | 99.8 | 98 |
Redundancy | 13.9 | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.8M Potassium Sodium Tartrate, 0.1M TRIS, 0.5% PEGMME 5000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |