5JYO
Allosteric inhibition of Kidney Isoform of Glutaminase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 126.404, 126.629, 126.269 |
| Unit cell angles | 112.88, 102.81, 112.74 |
Refinement procedure
| Resolution | 21.361 - 2.098 |
| R-factor | 0.1899 |
| Rwork | 0.190 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3voz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.844 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2420)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.108 | 0.448 |
| Number of reflections | 337350 | |
| <I/σ(I)> | 15.32 | |
| Completeness [%] | 96.6 | 93.9 |
| Redundancy | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris propane (pH 7), 3% DMSO, 1.8 M LiSO4 |
