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 |