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 |