4OG1
Crystal Structure of a Putative Enoyl-CoA Hydratase from Novosphingobium aromaticivorans DSM 12444
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-11 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97936 |
| Spacegroup name | P 2 3 |
| Unit cell lengths | 108.587, 108.587, 108.587 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.050 |
| R-factor | 0.16813 |
| Rwork | 0.167 |
| R-free | 0.19652 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.982 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 26899 | |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.2 M Potassium Sulfate, 20% (w/v) PEG 3350, Equilibrated against reservoir of 1.5M NaCl , pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
