6RZ6

Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.07228
Spacegroup name	C 2 2 21
Unit cell lengths	69.810, 170.880, 85.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.901 - 2.430
R-factor	0.1964
Rwork	0.194
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rz4
RMSD bond length	0.006
RMSD bond angle	1.022
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	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.279	3.230
Rpim	0.094	1.120
Number of reflections	19685	1945
<I/σ(I)>	5.9	1.1
Completeness [%]	99.8	99.7
Redundancy	9.2	8.8
CC(1/2)	0.990	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	100-200 mM NH4 Tartrate dibasic 28-32% v/v PEG400 100 mM HEPES pH 8.0
1	LIPIDIC CUBIC PHASE	8	293	100-200 mM NH4 Tartrate dibasic 28-32% v/v PEG400 100 mM HEPES pH 8.0