8JUE
Crystal structure of glutaminase C in complex with compound 11
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 | 2023-06-10 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.649, 139.510, 178.094 |
| Unit cell angles | 90.00, 93.49, 90.00 |
Refinement procedure
| Resolution | 109.990 - 2.390 |
| R-factor | 0.1915 |
| Rwork | 0.189 |
| R-free | 0.24408 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.482 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 109.990 | 2.475 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.057 | 0.216 |
| Rmeas | 0.236 | |
| Rpim | 0.026 | 0.096 |
| Number of reflections | 89723 | 9510 |
| <I/σ(I)> | 22.85 | 8.65 |
| Completeness [%] | 94.4 | |
| Redundancy | 5.7 | |
| CC(1/2) | 0.998 | 0.979 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 18% Polyethylene glycol 3350, 0.2 M magnesium chloride, 0.08 M 2-[4-(2-Hydroxyethyl)-1-piperazinyl]ethanesulfonicacid pH 7.5 |
