3OLW

Structural and functional effects of substitution at position T+1 in CheY: CheYA88T-BeF3-Mn complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.033, 53.731, 161.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.933 - 2.304
R-factor	0.1827
Rwork	0.180
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fqw
RMSD bond length	0.007
RMSD bond angle	1.099
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_336))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Number of reflections	21118
<I/σ(I)>	9.9	11.3	2.1
Completeness [%]	98.7	99.6	87.8
Redundancy	6.3	6.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Ammonium Sulfate 2.4 M Glycerol 5.0% (v/v) Tris 100 mM pH 7.5 MnCl2 20mM BeCl2 1mM NaF 10mM 10.1 mg/mL CheY A88M 2-19-10, VAPOR DIFFUSION, HANGING DROP, temperature 298K