3OLX

Structural and functional effects of substitution at position T+1 in CheY: CheYA88S-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	53.687, 53.759, 160.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.879 - 2.100
R-factor	0.1913
Rwork	0.189
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3myy
RMSD bond length	0.007
RMSD bond angle	1.084
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Number of reflections	28021
<I/σ(I)>	16.6	22.8	2.9
Completeness [%]	98.8	98.1	98.5
Redundancy	6.9	6.5	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Ammonium Sulfate 2.4 M Glycerol 5% (v/v) Tris 100 mM pH 7.5-8.5 MnCl2 20mM BeCl2 1mM NaF 10mM 7.2 mg/mL CheY A88S 2-15-10 , VAPOR DIFFUSION, HANGING DROP, temperature 298K