6RZ5

XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	293
Detector technology	PIXEL
Collection date	2016-08-21
Detector	CS-PAD CXI-1
Wavelength(s)	1.302
Spacegroup name	P 1
Unit cell lengths	41.590, 68.580, 87.390
Unit cell angles	76.31, 76.68, 81.21

Refinement procedure

Resolution	19.840 - 2.530
R-factor	0.191
Rwork	0.189
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rz4
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	CrystFEL (0.6.3+23ea03c7)
Data scaling software	CrystFEL (0.6.3+23ea03c7)
Phasing software	PHASER (1.12-2829)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.620
High resolution limit [Å]	2.530	2.530
Number of reflections	30258	2988
<I/σ(I)>	3.2
Completeness [%]	100.0	100
Redundancy	82.7	43.2
CC(1/2)	0.980	0.200

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	75-175 mM sodium phosphate 24-34% v/v PEG400 100 mM HEPES pH 7.0 1 uM zafirlukast