6CBQ

Crystal structure of QscR bound to agonist S3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2014-01-01
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	94.120, 94.120, 105.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.060 - 2.800
R-factor	0.2147
Rwork	0.212
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3szt
RMSD bond length	0.002
RMSD bond angle	0.405
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.060	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	13685
<I/σ(I)>	12.3
Completeness [%]	99.3
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	0.2 M potassium citrate, 20 w/v PEG 3350 and 5% glycerol