2PL9

Crystal Structure of CheY-Mg(2+)-BeF(3)(-) in Complex with CheZ(C19) Peptide solved from a P2(1)2(1)2 Crystal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-03-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	68.058, 162.972, 37.341
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.400 - 2.600
R-factor	0.22
Rwork	0.213
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fqw
RMSD bond length	0.014
RMSD bond angle	1.124
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.137	0.081	0.355
Number of reflections	15119
<I/σ(I)>	6.9
Completeness [%]	99.5	99.1	99.2
Redundancy	8.4	7.6	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	37.5 % PEG 8000, 0.1 M ammonium thiocyanate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K