3RVJ

Structure of the CheY-BeF3 Complex with substitutions at 59 and 89: N59D and 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)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	53.584, 53.697, 160.663
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.577 - 2.100
R-factor	0.1786
Rwork	0.177
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fqw
RMSD bond length	0.007
RMSD bond angle	1.095
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	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	26982
<I/σ(I)>	14.42	2.42
Completeness [%]	96.3	91.9
Redundancy	6.2	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.25	298	Ammonium Sulfate 2.4M, Tris 100mM pH 8.25, Glycerol 5% (v/v), MnCl2 20mM, BeCl2 1mM, NaF 10mM, VAPOR DIFFUSION, HANGING DROP, temperature 298K