3JRX

Crystal structure of the BC domain of ACC2 in complex with soraphen A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-20
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	74.744, 74.744, 179.414
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.900 - 2.500
R-factor	0.221
Rwork	0.221
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hjw
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.580
High resolution limit [Å]	2.500	2.500
Number of reflections	20538
Completeness [%]	98.4	98.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	AMMONIUM SULFATE, MES, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K