3RVK

Structure of the CheY-Mn2+ Complex with substitutions at 59 and 89: N59D E89Q

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	2010-11-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	45.117, 46.786, 53.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.821 - 1.160
R-factor	0.1319
Rwork	0.131
R-free	0.15890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3chy
RMSD bond length	0.007
RMSD bond angle	1.216
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.180
High resolution limit [Å]	1.160	1.160
Number of reflections	39493
<I/σ(I)>	19.1	2.1
Completeness [%]	98.2	76.6
Redundancy	6.3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	PEG 8000 31% (w/v), Na Cacodylate 100mM, pH 6.0, Calcium Acetate 140mM, Glycerol 10% (v/v), 8.8 mg/mL CheY, VAPOR DIFFUSION, HANGING DROP, temperature 298K