9UDE
Crystal structure of MonCI in complex with diepoxidized farnesyl acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.622, 52.765, 145.829 |
| Unit cell angles | 90.00, 92.37, 90.00 |
Refinement procedure
| Resolution | 145.704 - 2.650 |
| R-factor | 0.2024 |
| Rwork | 0.199 |
| R-free | 0.26130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8t3p |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.757 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 145.704 | 2.780 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.128 | 0.611 |
| Rmeas | 0.153 | 0.723 |
| Rpim | 0.083 | 0.383 |
| Number of reflections | 29099 | 3190 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 96.1 | 79.6 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.989 | 0.755 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291.15 | 0.1 M Lithium Chloride, 0.1 M HEPES, pH=7.3, 28%(w/v) PEG 6000 |
