6FZ4
Structure of GluK1 ligand-binding domain in complex with N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)-2-hydroxybenzamide at 1.85 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | H 3 2 |
Unit cell lengths | 88.867, 88.867, 157.145 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.376 - 1.850 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.21640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4qf9 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.130 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.5.1) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.117 | 37.376 | 1.950 |
High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
Rmerge | 0.049 | 0.441 | |
Rmeas | 0.086 | 0.052 | 0.466 |
Rpim | 0.027 | 0.017 | 0.150 |
Number of reflections | 20684 | 718 | 2971 |
<I/σ(I)> | 15.5 | 11.6 | 1.6 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 10 | 9.2 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 280 | 20% PEG4000, 0.1M lithium sulfate, 0.1M sodium acetate pH 5.5 |