4G4K

Structure of the Staphylococcus aureus AgrA LytTR Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-06-18
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	41.414, 45.894, 112.138
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.716 - 1.520
R-factor	0.1813
Rwork	0.180
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bs1
RMSD bond length	0.006
RMSD bond angle	1.048
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.550
High resolution limit [Å]	1.520	4.120	1.520
Number of reflections	32840
<I/σ(I)>	16.6	52	2
Completeness [%]	97.2	97.4	89.8
Redundancy	3.3	3.3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	100 mM Tris, 150 mM LiSO4, 11% (w/v) PEG 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K