3A0V

PAS domain of histidine kinase ThkA (TM1359) (SeMet, F486M/F489M)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-20
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.9795, 0.9797, 0.9789
Spacegroup name	P 41 21 2
Unit cell lengths	43.238, 43.238, 116.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.231
Rwork	0.229
R-free	0.25800
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.515
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	12735
<I/σ(I)>	55.5	10.2
Completeness [%]	99.2	99.6
Redundancy	15.2	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	293	40% ethanol, 0.05M phosphate-citrate, 5% PEG1000, pH 6.2, VAPOR DIFFUSION, temperature 293K