8J5H
Crystal structure of kinase AbmG in complex with 4'-hydroxy-4'-thiocytidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.152, 77.572, 83.945 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.220 - 1.400 |
| R-factor | 0.1744 |
| Rwork | 0.174 |
| R-free | 0.19040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.913 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.220 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.046 | 0.422 |
| Number of reflections | 45024 | 2233 |
| <I/σ(I)> | 21.3 | 3.9 |
| Completeness [%] | 99.4 | 98.3 |
| Redundancy | 6.9 | 7 |
| CC(1/2) | 1.000 | 0.921 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.03 M citrate, 0.07 M Bis-Tris propane, 28% PEG3350 |
