4L6W

Carboxyltransferase subunit (AccD6) of Mycobacterium tuberculosis acetyl-CoA carboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.2395
Spacegroup name	P 21 21 21
Unit cell lengths	76.942, 90.311, 154.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.970 - 1.950
R-factor	0.17721
Rwork	0.174
R-free	0.24356
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bzr
RMSD bond length	0.017
RMSD bond angle	1.846
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.942	2.060
High resolution limit [Å]	1.947	1.950
Rmerge	0.038	0.490
Number of reflections	79385
<I/σ(I)>	34.4	5.14
Completeness [%]	99.8	98.59
Redundancy	12.88	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	27% (w/v) PEG 3350, 0.3 M ammonium sulphate, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K