2A7S

Crystal Structure of the Acyl-CoA Carboxylase, AccD5, from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-25
Detector	ADSC QUANTUM 315
Spacegroup name	P 41 21 2
Unit cell lengths	175.252, 175.252, 342.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.880 - 2.900
R-factor	0.193
Rwork	0.193
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ACYL-COA CARBOXYLASE FROM STREPTOMYCES COELICOLOR PCCB
RMSD bond length	2.462
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.950
High resolution limit [Å]	2.800	2.900
Rmerge	0.158	0.450
Number of reflections	118668
<I/σ(I)>	7	2.2
Completeness [%]	100.0	100
Redundancy	7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	298	0.1 M sodium citrate pH 5.6, 0.2 M ammonium acetate, 15% PEG 4K, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 5.60