3OLV

Structural and functional effects of substitution at position T+1 in CheY: CheYA88V-BeF3-Mg 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	2010-02-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	41.477, 44.799, 48.069
Unit cell angles	69.23, 68.01, 66.16

Refinement procedure

Resolution	24.805 - 1.697
R-factor	0.1762
Rwork	0.174
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fqw
RMSD bond length	0.007
RMSD bond angle	1.034
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	1.730
High resolution limit [Å]	1.700	4.610	1.700
Number of reflections	29238
<I/σ(I)>	25.3	30.4	5.4
Completeness [%]	92.9	99	67
Redundancy	3.7	4.3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	Ammonium Sulfate 1.7 M Glycerol 5% (v/v) Tris 100 mM pH 8.0 MnCl2 20mM BeCl2 1mM NaF 10mM, VAPOR DIFFUSION, HANGING DROP, temperature 298K