3CWF

Crystal structure of PAS domain of two-component sensor histidine kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-30
Detector	CUSTOM-MADE
Wavelength(s)	1.28239
Spacegroup name	P 21 21 21
Unit cell lengths	55.503, 67.632, 77.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.690 - 2.200
R-factor	0.19676
Rwork	0.194
R-free	0.24420
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.488
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.200	2.200
Rmerge	0.084	0.522
Number of reflections	15369
<I/σ(I)>	21.53	1.85
Completeness [%]	99.7	97.4
Redundancy	6.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.2M Lithium sulfate, 0.1M HEPES, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.2M Lithium sulfate, 0.1M HEPES, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.2M Lithium sulfate, 0.1M HEPES, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K