9P6K
Colorado Potato Beetle Glutathione S-transferase Sigma Class member 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-08 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.96860 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.372, 88.781, 97.902 |
| Unit cell angles | 90.00, 99.73, 90.00 |
Refinement procedure
| Resolution | 29.200 - 2.840 |
| R-factor | 0.225 |
| Rwork | 0.221 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.558 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.200 | 2.880 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rmerge | 0.088 | 1.103 |
| Rmeas | 0.104 | |
| Rpim | 0.056 | 0.720 |
| Number of reflections | 37601 | 722 |
| <I/σ(I)> | 7.73 | 1.16 |
| Completeness [%] | 97.3 | 95.65 |
| Redundancy | 3.4 | |
| CC(1/2) | 0.997 | 0.408 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293.15 | 0.2 M magnesium chloride, 0.1 M Tris pH 8.5, 30% PEG 4000 |
