3F7N

Crystal Structure of CheY triple mutant F14E, N59M, E89L complexed with BeF3- and Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Detector technology	IMAGE PLATE
Collection date	2007-12-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	53.411, 53.543, 161.756
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.173
Rwork	0.171
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.522
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.073	0.040	0.331
Number of reflections	31381
<I/σ(I)>	28.725
Completeness [%]	97.3	99.3	88.7
Redundancy	4.6	4.3	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	298	Tris buffer, Ammonium Sulfate, Glycerol, BeCl2, NaF, MnCl2, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K