3GKB
Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-04 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.461, 87.502, 154.447 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.20600 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.399 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.224 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.107 | 0.259 |
| Number of reflections | 74217 | |
| <I/σ(I)> | 12.5 | 5.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 294 | 100mM Sodium acetate pH 5.0, 33% PEG 4000, 200mM Ammonium acetate, VAPOR DIFFUSION, temperature 294K |
