2ID9

1.85 A Structure of T87I/Y106W Phosphono-CheY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-07
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	41.350, 49.960, 53.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.750
Rwork	0.170
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c4w
RMSD bond length	0.015
RMSD bond angle	1.429
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.047	0.031	0.149
Number of reflections	11203
Completeness [%]	95.0	93.8	57.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.84	298	20% PEG 8000, 0.2 M ammonium acetate, 0.1 M MES-NaOH, pH 5.84, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K