8IE4
Crystal structure of GcCGT
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 | 2021-05-05 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.180, 95.930, 132.220 |
| Unit cell angles | 90.00, 103.54, 90.00 |
Refinement procedure
| Resolution | 39.500 - 2.100 |
| R-factor | 0.2041 |
| Rwork | 0.202 |
| R-free | 0.24980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.843 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.109 | 0.820 |
| Rmeas | 0.122 | 0.913 |
| Rpim | 0.054 | 0.398 |
| Total number of observations | 548820 | 28344 |
| Number of reflections | 112015 | 5544 |
| <I/σ(I)> | 7.2 | 1.7 |
| Completeness [%] | 99.8 | |
| Redundancy | 4.9 | 5.1 |
| CC(1/2) | 0.996 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M MES, 0.2 M Li2SO4, pH 6.25, 25% w/v PEG 3000 |
