8B5D

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)	0.91587
Spacegroup name	P 1 21 1
Unit cell lengths	42.610, 91.500, 57.910
Unit cell angles	90.00, 107.81, 90.00

Refinement procedure

Resolution	47.220 - 2.000
R-factor	0.1998
Rwork	0.197
R-free	0.26290
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]	55.140	4.500
High resolution limit [Å]	2.000	2.000
Number of reflections	28607	27551
<I/σ(I)>	18
Completeness [%]	99.5
Redundancy	4
CC(1/2)	0.950	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	100 mM NaCl 50 mM TRIS 15 % MPD 20 % PEG 400