3FFT

Crystal Structure of CheY double mutant F14E, E89R 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	2007-03-23
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	53.548, 53.585, 161.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.850 - 2.210
R-factor	0.163
Rwork	0.161
R-free	0.20300
RMSD bond length	0.018
RMSD bond angle	1.595
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]	50.000	50.000	2.290
High resolution limit [Å]	2.210	4.760	2.210
Rmerge	0.099	0.049	0.356
Number of reflections	23551
<I/σ(I)>	12.189
Completeness [%]	97.5	91.2	99.2
Redundancy	3.7	4.4	3.6

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