4RGU

Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with ferulic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	63.668, 82.812, 63.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.509 - 1.891
R-factor	0.176
Rwork	0.175
R-free	0.20600
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.947
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.1_1161))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.891	1.900
Number of reflections	26574
<I/σ(I)>	15.7	4.4
Completeness [%]	97.3	83
Redundancy	7.3	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	1.4 M Sodium Malonate pH 7.0, 0.1 M Bis-Tris Propane pH 7.0, 5mM ferulic acid, VAPOR DIFFUSION, SITTING DROP, temperature 289K