9RGR
Crystal Structure of Rattus norvegicus Enoyl-CoA Hydratase in complex with 3S-hydroxybutanoyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER X8 PROTEUM |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-12 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.114, 93.694, 247.474 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.750 - 2.690 |
| R-factor | 0.2058 |
| Rwork | 0.204 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.442 |
| 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] | 72.750 | 2.780 |
| High resolution limit [Å] | 2.690 | 2.690 |
| Rpim | 0.096 | |
| Number of reflections | 49784 | 4419 |
| <I/σ(I)> | 7.6 | 2.1 |
| Completeness [%] | 99.8 | 98.4 |
| Redundancy | 8.6 | |
| CC(1/2) | 0.979 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 100mM Tris, pH 7.5, 2.43M (NH4)2SO4), 5%v/v octanol |
