1UYR

Acetyl-CoA Carboxylase Carboxyltransferase Domain in complex with inhibitor Diclofop

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Spacegroup name	P 32 2 1
Unit cell lengths	136.780, 136.780, 244.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 * - 2.500
R-factor	0.217
Rwork	0.217
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	22.300 *
Phasing software	COMO
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.076	0.317
Total number of observations	584662 *
Number of reflections	88661
<I/σ(I)>	23	4
Completeness [%]	96.0	95
Redundancy	6.5	4.5

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)