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 |