9RGT
Crystal Structure of Rattus norvegicus Enoyl-CoA Hydratase in complex with 3S-hydroxydecanoyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER X8 PROTEUM |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-29 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.791, 94.480, 248.973 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.380 - 2.000 |
| R-factor | 0.2316 |
| Rwork | 0.230 |
| R-free | 0.25780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.850 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.380 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.040 | |
| Number of reflections | 120103 | 4754 |
| <I/σ(I)> | 11 | 0.8 |
| Completeness [%] | 97.0 | 78.7 |
| Redundancy | 9.7 | |
| CC(1/2) | 0.987 | 0.478 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 298 | 100mM MES, pH 5.5, 2.1M (NH4)2SO4, 10% octanol |
