3OLY

Structural and functional effects of substitution at position T+1 in CheY: CheYA88M-BeF3-Mn complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	53.445, 53.547, 161.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.722 - 2.050
R-factor	0.1815
Rwork	0.180
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3myy
RMSD bond length	0.007
RMSD bond angle	1.063
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	2.090
High resolution limit [Å]	2.050	5.560	2.050
Number of reflections	30464
<I/σ(I)>	15.7	16.9	2.7
Completeness [%]	99.9	98.8	100
Redundancy	7.1	6.6	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	Ammonium Sulfate 2.4 M Glycerol 2.5% (v/v) Tris 100 mM pH 8.0 MnCl2 20mM BeCl2 1mM NaF 10mM 4.8 mg/mL CheY A88M 1-10-10, VAPOR DIFFUSION, HANGING DROP, temperature 298K