6PRW

CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	102.782, 150.406, 152.644
Unit cell angles	90.00, 89.73, 90.00

Refinement procedure

Resolution	42.536 - 2.609
R-factor	0.1873
Rwork	0.185
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.536	2.800
High resolution limit [Å]	2.600	2.600
Number of reflections	133806	2770
<I/σ(I)>	1.33
Completeness [%]	95.0
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	1000 mM Potassium sodium tartrate 100 mM Tris base/ Hydrochloric acid pH 7.0 200 mM Lithium sulfate