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