6YB5

Orthorhombic crystal structure of a native BcsRQ complex crystallized in the presence of ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-01
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.980027019978
Spacegroup name	P 21 21 21
Unit cell lengths	59.110, 73.160, 140.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.230 - 1.590
R-factor	0.1615
Rwork	0.160
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yar
RMSD bond length	0.006
RMSD bond angle	0.779
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17rc2_3619)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.590	1.590
Number of reflections	81659	12421
<I/σ(I)>	17.2
Completeness [%]	99.0	94.3
Redundancy	13.2	11.8
CC(1/2)	0.999	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.4	100 mM MES pH 6.5 and 12% PEG 20 000