7RGG
Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE G3 |
| Synchrotron site | CHESS |
| Beamline | G3 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2020-06-10 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.000, 138.000, 178.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.330 - 3.000 |
| R-factor | 0.2108 |
| Rwork | 0.207 |
| R-free | 0.28610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wj6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.189 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.330 | 3.070 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rpim | 0.450 | |
| Number of reflections | 47136 | 4690 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 97.6 | 98.6 |
| Redundancy | 19.8 | |
| CC(1/2) | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.0 M lithium chloride, 10% PEG6000, 0.1 M Tris, pH 8.5 |
