5YDP

Crystal Structure of TetR Family Repressor AlkX from Dietzia sp. Strain DQ12-45-1b Implicated in Biodegradation of n-Alkanes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979622
Spacegroup name	C 1 2 1
Unit cell lengths	109.662, 179.711, 56.646
Unit cell angles	90.00, 110.52, 90.00

Refinement procedure

Resolution	34.152 - 3.091
R-factor	0.2472
Rwork	0.245
R-free	0.28250
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.491
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.210
High resolution limit [Å]	3.100	6.670	3.100
Rmerge	0.093	0.062	0.482
Rmeas	0.102	0.068	0.525
Rpim	0.040	0.027	0.207
Total number of observations	119304
Number of reflections	18667
<I/σ(I)>	10
Completeness [%]	99.4	98.8	99.2
Redundancy	6.4	6.2	6.5
CC(1/2)		0.997	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.01M magnesium acetate, 0.05M Sodium cacodylate, 1.3M lithium sulfate