4U7O

Active histidine kinase bound with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	54.528, 98.389, 116.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.990 - 2.395
R-factor	0.2003
Rwork	0.198
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i5s
RMSD bond length	0.011
RMSD bond angle	1.440
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.440
High resolution limit [Å]	2.395	2.400
Rmerge	0.100
Number of reflections	25170
<I/σ(I)>	38.164	4.16
Completeness [%]	99.5	100
Redundancy	6.4	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.8	298	Ammonium sulfate, PEG 4000