5E3J

The response regulator RstA is a potential drug target for Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 65
Unit cell lengths	52.015, 52.015, 197.861
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.730 - 2.100
R-factor	0.1656
Rwork	0.163
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mvo
RMSD bond length	0.004
RMSD bond angle	0.832
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP (6.0)
Refinement software	PHENIX (1.9_1682)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.086	0.036	0.401
Total number of observations	189638
Number of reflections	17580
<I/σ(I)>	20.5		4.4
Completeness [%]	99.3	99.4	94.3
Redundancy	10.8	11.5	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	crystallization drop contained 2 ul of purified RstA1-130 (in 20 mM Tris-HCl pH 8.0, 200 mM NaCl, and 1 mM DTT) at 11.25 mg/ml plus 2 ul of reservoir solution against 1 ml of reservoir; crystallization cocktail: 20%(v/v) PEG 400, 20%(v/v/) glycerol, 100 mM Tris-HCl, pH 8.5, and 150 mM NaCl