8B5E

Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ

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	2020-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	34.670, 53.080, 54.080
Unit cell angles	92.40, 92.37, 94.11

Refinement procedure

Resolution	38.660 - 1.600
Rwork	0.100
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h30
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.980	3.500
High resolution limit [Å]	1.600	1.600
Number of reflections	50688	49269
<I/σ(I)>	14
Completeness [%]	99.0	93
Redundancy	6
CC(1/2)	0.960	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	100 mM NaCl 50 mM TRIS 10 % MPD 15 % PEG400