3I9W

Crystal structure of the E. coli histidine kinase sensor TorS sensor domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.99117, 0.97943, 0.97912, 0.96806
Spacegroup name	C 2 2 21
Unit cell lengths	61.528, 137.112, 123.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.680 - 2.700
Rwork	0.247
R-free	0.30200
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.08)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.800
High resolution limit [Å]	2.700	5.770	2.700
Rmerge	0.074	0.045	0.383
Number of reflections	14294
<I/σ(I)>	14.5
Completeness [%]	97.5	99.5	93.2
Redundancy	6.6	9.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	1-4 butanediol, NaAcetate pH 5.5, NH4SO4, VAPOR DIFFUSION, HANGING DROP, temperature 277K