3O3M
(R)-2-Hydroxyisocaproyl-CoA Dehydratase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-24 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841,1.73980,1.74203 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.764, 129.192, 179.166 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.699 - 1.820 |
| R-factor | 0.1755 |
| Rwork | 0.173 |
| R-free | 0.22040 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.898 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXS |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.900 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 146208 | |
| <I/σ(I)> | 12.52 | 2.71 |
| Completeness [%] | 99.1 | 98.5 |
| Redundancy | 3.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 23 % PEG 3350, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
