6RZ8

Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365

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	2017-06-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976250
Spacegroup name	I 4
Unit cell lengths	78.440, 78.440, 172.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.924 - 2.700
R-factor	0.1964
Rwork	0.194
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rz4
RMSD bond length	0.004
RMSD bond angle	0.748
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	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.239	2.758
Rpim	0.066	0.766
Number of reflections	14227
<I/σ(I)>	9.8	1.2
Completeness [%]	100.0	100
Redundancy	14	13.8
CC(1/2)	0.990	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	100 mM K Formate 30% v/v PEG400 100 mM TRIS-HCl pH 8.0