6A8U

PhoQ sensor domain (wild type): analysis of internal cavity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	38.030, 68.230, 112.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.493 - 1.848
R-factor	0.1721
Rwork	0.169
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bq8
RMSD bond length	0.006
RMSD bond angle	0.785
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.075	0.042	0.363
Rmeas	0.079	0.044	0.387
Rpim	0.023	0.013	0.131
Total number of observations	276450
Number of reflections	24449	1343	1203
<I/σ(I)>	8.5
Completeness [%]	94.1	92.4	94.3
Redundancy	11.3	11.5	7.8
CC(1/2)		0.999	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.2	277	32% (w/v) PEG 3350, 0.2M ammonium tartrate, 0.1M CHES