8PDC

Complex of Histidine-containing phosphotransfer protein and receiver domain of hybrid Histidine Kinase 6 from Chaetomium thermophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	57.251, 57.469, 68.975
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.150 - 2.400
R-factor	0.22257
Rwork	0.220
R-free	0.26794
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r25
RMSD bond length	0.002
RMSD bond angle	0.742
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.970	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.157	0.971
Rmeas	0.170	1.047
Rpim	0.064	0.388
Total number of observations	66052	7181
Number of reflections	9386	975
<I/σ(I)>	9.2	2.7
Completeness [%]	100.0
Redundancy	7	7.4
CC(1/2)	0.996	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	1.6 M ammonium sulphate 1 M lithium sulphate