6NB0

Crystal structure of Histidine kinase from Burkholderia phymatum STM815

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-15
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	77.600, 77.600, 97.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.373 - 1.900
R-factor	0.1928
Rwork	0.191
R-free	0.22230
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.879
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_3304)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.373	39.373	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.030	0.014	0.299
Rmeas	0.031	0.015	0.335
Number of reflections	27087	356	1946
<I/σ(I)>	46.1	150.56	5.45
Completeness [%]	99.4	97.5	98
Redundancy	11.488	12.084	4.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	Rigaku Reagents Wizard 3/4 screen, condition C2: 24% PEG 1500, 20% glycerol + BuphA.01664.a.A1.PW32082 at 33.15mg/ml. Cryo: direct, tray: 224038 D2, puck mtz8-10. Phasing: Molecular dimensions PACT screen condition d3: 24% PEG 1500, 100mM MMT buffer pH 6.0 + BuphA.01664.a.A1.PW32082 at 33.15mg/ml. The crystal was soaked for 20sec solution reservoir + 20% 2.5M Sodium iodide in ethylene glycol, and vitrified in liquid nitrogen. Tray 223760 d3