4GVP

Crystal Structure of the Response Regulator Protein VraR from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-07
Detector	ADSC QUANTUM 270
Wavelength(s)	0.91810
Spacegroup name	P 21 21 21
Unit cell lengths	78.149, 103.804, 114.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.162 - 2.030
R-factor	0.1741
Rwork	0.172
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.968
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.2.3)
Refinement software	PHENIX (1.8_1066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.030	5.510	2.030
Rmerge	0.096	0.057	0.607
Number of reflections	60715
<I/σ(I)>	9	55.5	3.3
Completeness [%]	99.8	99.8	99.5
Redundancy	7.4	6.7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	80 mM Tris-HCl, 160 mM ammonium acetate, 16% (w/v) PEG 4000, 6% 2-methyl-2,4-pentanediol, pH 8.5, vapor diffusion, temperature 277K