1PN2
Crystal structure analysis of the selenomethionine labelled 2-enoyl-CoA hydratase 2 domain of Candida tropicalis multifunctional enzyme type 2
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-30 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979852, 0.980322, 0.961123 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 178.800, 60.648, 131.117 |
| Unit cell angles | 90.00, 94.57, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.950 |
| R-factor | 0.182 |
| Rwork | 0.179 |
| R-free | 0.21400 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.451 |
| Data reduction software | DENZO |
| Data scaling software | XDS |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.048 | 0.243 |
| Number of reflections | 97595 | |
| <I/σ(I)> | 17.3 | 3.05 |
| Completeness [%] | 95.2 | 85.9 |
| Redundancy | 4.5 | 1.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | PEG 4000, HEPES , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
