8SBF

Full-length structure of the LysR-type transcriptional regulator, ACIAD0746, from Acinetobacter baylyi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-28
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	106.597, 109.690, 110.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.450 - 2.290
R-factor	0.2138
Rwork	0.211
R-free	0.25760
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.521
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.340
High resolution limit [Å]	2.290	6.240	2.294
Rmerge	0.047	0.020	0.403
Number of reflections	57811	2947	2799
<I/σ(I)>	19.1
Completeness [%]	99.1	93.4	98
Redundancy	6.6	6.4	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	297	ACIAD0746 was dialyzed against 20 mM TRIS, 500 mM NaCl, 10 mM mercaptolethanol, 10% glycerol, pH 8. 2 microL protein was mixed with 2 microL Hampton Research HR-CSI-23 (0.2 M MgCl2, 0.1 M HEPES pH 7.5, 30% v/v PEG 400)