6RZ9

Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-17
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	C 2 2 21
Unit cell lengths	69.630, 170.210, 85.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.805 - 2.730
R-factor	0.2188
Rwork	0.217
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rz4
RMSD bond length	0.004
RMSD bond angle	0.809
Data reduction software	XDS (20161205)
Data scaling software	XSCALE (20180319)
Phasing software	PHASER (1.12-2829)
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.830
High resolution limit [Å]	2.730	2.730
Rmerge	0.151	1.615
Rpim	0.102	1.084
Number of reflections	13531
<I/σ(I)>	4.4	0.9
Completeness [%]	97.0	99.1
Redundancy	2.9	3
CC(1/2)	0.990	0.330

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	210mM NH4 tartrate dibasic 29% PEG400 HEPES 7.0