1UYS

Acetyl-CoA carboxylase carboxyltransferase domain in complex with inhibitor haloxyfop

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Spacegroup name	C 1 2 1
Unit cell lengths	246.210, 125.580, 146.880
Unit cell angles	90.00, 94.08, 90.00

Refinement procedure

Resolution	27.000 * - 2.800
R-factor	0.218
Rwork	0.218
R-free	0.25200
Structure solution method	OTHER
RMSD bond length	0.009
RMSD bond angle	22.800 *
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.093	0.288
Total number of observations	285486 *
Number of reflections	96167
<I/σ(I)>	9	3
Completeness [%]	98.0	98
Redundancy	3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5		pH 5.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	0.1 (M)	pH5.5
2	1	reservoir		200 (mM)
3	1	reservoir	PEG8000	8 (%(w/v))
4	1	reservoir	glycerol	10 (%(v/v))
5	1	drop	protein	10 (mg/ml)