3MYY

Structure of E. Coli CheY mutant A113P bound to Beryllium fluoride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-12-11
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 21 21 21
Unit cell lengths	53.445, 53.547, 161.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.591 - 2.100
R-factor	0.1745
Rwork	0.173
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fqw
RMSD bond length	0.007
RMSD bond angle	1.017
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_336))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.090
High resolution limit [Å]	2.050	2.050
Number of reflections	29803
<I/σ(I)>	10.2	2.1
Completeness [%]	99.5	99.7
Redundancy	4.7	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Ammonium Sulfate 1.8-2.4 M, Glycerol 0-12.5% (v/v), Tris 100 mM, pH 7.0-8.5, MnCl2 20mM, BeCl2 1mM, NaF 10mM, , VAPOR DIFFUSION, HANGING DROP, temperature 298K