8YST
Structure of CylI in complex with beta-ketoacyl-SNAC substrate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-04 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.850, 113.441, 134.189 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.510 - 1.900 |
| R-factor | 0.1951 |
| Rwork | 0.193 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.625 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.510 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 59260 | 5647 |
| <I/σ(I)> | 21.12 | 5.66 |
| Completeness [%] | 99.3 | |
| Redundancy | 4.9 | |
| CC(1/2) | 0.998 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 27% PEG 4000, 0.09 M Tris-HCl, pH 8.0, 0.18 M magnesium chloride, 3% 1,6-Hexanediol |
