3FFW

Crystal Structure of CheY triple mutant F14Q, N59K, E89Y 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	2006-09-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	53.491, 53.543, 161.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.670 - 2.000
R-factor	0.164
Rwork	0.162
R-free	0.20600
RMSD bond length	0.015
RMSD bond angle	1.470
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.670	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.058	0.028	0.333
Number of reflections	31409
<I/σ(I)>	18.454
Completeness [%]	97.6	91.3	99.5
Redundancy	4	4	3.8

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