3RVN

Structure of the CheY-BeF3 Complex with substitutions at 59 and 89: N59D and E89Y

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)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	53.436, 53.613, 161.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.597 - 2.250
R-factor	0.1883
Rwork	0.186
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fqw
RMSD bond length	0.007
RMSD bond angle	1.110
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	2.290
High resolution limit [Å]	2.250	2.250
Number of reflections	22709
<I/σ(I)>	12.82	2.6
Completeness [%]	99.8	99.9
Redundancy	5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.25	298	Ammonium Sulfate 2.0M Tris 100mM pH 8.25 Glycerol 5% (v/v) MnCl2 20mM BeCl2 1mM NaF 10mM CheY 8.9mg/mL, VAPOR DIFFUSION, HANGING DROP, temperature 298K