1PN4
Crystal structure of 2-enoyl-CoA hydratase 2 domain of Candida tropicalis multifunctional enzyme type 2 complexed with (3R)-hydroxydecanoyl-CoA.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8019 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.640, 151.290, 81.620 |
| Unit cell angles | 90.00, 90.50, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.350 |
| R-factor | 0.174 |
| Rwork | 0.171 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Subunit D of PDB ENTRY 1PN2 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.550 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.500 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.064 | 0.232 |
| Number of reflections | 47255 | |
| <I/σ(I)> | 12.1 | 4.53 |
| Completeness [%] | 96.4 | 90.1 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | PEG 2000 MME, HEPES, trans-2-decenoyl-CoA, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
