3RVS

Structure of the CheYN59D/E89R Tungstate 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	2011-03-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.02631
Spacegroup name	P 21 21 21
Unit cell lengths	53.560, 53.620, 162.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.306 - 2.100
R-factor	0.1498
Rwork	0.148
R-free	0.18370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fqw
RMSD bond length	0.010
RMSD bond angle	1.328
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	52812
<I/σ(I)>	15.32	4.33
Completeness [%]	99.9	100
Redundancy	11.2	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2.6 M Ammonium Sulfate, 100 mM Tris, pH 7.5, 5% (v/v) glycerol, 10 mM Sodium Tungstate, 20 mM Manganese chloride, 4.25 mg/mL CheY, VAPOR DIFFUSION, HANGING DROP, temperature 298K