5I94
Crystal structure of human glutaminase C in complex with the inhibitor UPGL-00019
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-31 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.440, 137.790, 175.755 |
| Unit cell angles | 90.00, 94.68, 90.00 |
Refinement procedure
| Resolution | 46.397 - 2.983 |
| R-factor | 0.1755 |
| Rwork | 0.173 |
| R-free | 0.23070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fi2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.286 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.980 |
| Number of reflections | 47296 |
| <I/σ(I)> | 11.6 |
| Completeness [%] | 99.9 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 10% PEG6000, LiCl, Tris-HCl, pH8.0 |
