9KUH
Co-crystal structure of wild-type OYE2 with 2-(prop-1-en-2-yl)pyridine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-06 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 193.927, 99.198, 119.175 |
| Unit cell angles | 90.00, 105.90, 90.00 |
Refinement procedure
| Resolution | 23.310 - 3.430 |
| R-factor | 0.2047 |
| Rwork | 0.202 |
| R-free | 0.26220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7bn7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.192 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 114.610 | 3.520 |
| High resolution limit [Å] | 3.430 | 3.430 |
| Rmerge | 0.323 | 0.867 |
| Rmeas | 0.352 | 0.943 |
| Rpim | 0.139 | 0.365 |
| Total number of observations | 190908 | 14360 |
| Number of reflections | 29323 | 2152 |
| <I/σ(I)> | 4.7 | 2 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.5 | 6.7 |
| CC(1/2) | 0.914 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | Bicine-tris (pH = 7.5) , 0.2 M sodium potassium tartrate tetrahydrate, 15% PEG3350 |
