5BMZ

Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 24mer DNA.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97924
Spacegroup name	P 61
Unit cell lengths	161.965, 161.965, 73.827
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.903 - 3.001
R-factor	0.2545
Rwork	0.252
R-free	0.29390
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	0.696
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	3.000	3.000
Rmerge		0.758
Number of reflections	22173
<I/σ(I)>	31.5	2.36
Completeness [%]	99.0	98.3
Redundancy	6.9	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	0.02 M Magnesium chloride hexahydrate, 0.04 M Sodium cacodylate trihydrate pH 5.5, 40 % v/v (+/-)-2-Methyl-2,4-pentanediol, 0.02 M Hexammine cobalt(III) chloride
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	0.02 M Magnesium chloride hexahydrate, 0.04 M Sodium cacodylate trihydrate pH 5.5, 40 % v/v (+/-)-2-Methyl-2,4-pentanediol, 0.02 M Hexammine cobalt(III) chloride
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	0.02 M Magnesium chloride hexahydrate, 0.04 M Sodium cacodylate trihydrate pH 5.5, 40 % v/v (+/-)-2-Methyl-2,4-pentanediol, 0.02 M Hexammine cobalt(III) chloride