1K39
The structure of yeast delta3-delta2-enoyl-COA isomerase complexed with octanoyl-COA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-11-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.946 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 116.650, 116.650, 216.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.290 |
| R-factor | 0.208 |
| Rwork | 0.205 |
| R-free | 0.26209 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hnu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.201 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.131 | |
| Number of reflections | 22527 | |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 96.6 | |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.1 M TEA, 1.3 M sodium citrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
