1IAX

CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	P 64 2 2
Unit cell lengths	123.200, 123.200, 212.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.218
Rwork	0.218
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.360
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.081	0.430
Total number of observations	216952 *
Number of reflections	23977 *
<I/σ(I)>	13.2	5.3
Completeness [%]	99.0	99.9
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	296	protein contains the ACS-PLP mixture in a ratio of 1:1:1 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium cacodylate	20 (mM)
2	1	reservoir		0.2 (M)
3	1	reservoir	PEG3350	19-23 (%)