5F2K

Crystal structure of mycobacterial fatty acid O-methyltransferase in complex with SAH and octanoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	80
Detector technology	CCD
Collection date	2014-02-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	63.074, 66.131, 98.086
Unit cell angles	90.00, 107.36, 90.00

Refinement procedure

Resolution	25.000 - 1.600
R-factor	0.19619
Rwork	0.195
R-free	0.21838
RMSD bond length	0.005
RMSD bond angle	1.068
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.600
Number of reflections	101625
<I/σ(I)>	20.5
Completeness [%]	100.0
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	0.1 M MgCl2, 0.1 M N-(2-acetamido)iminodiacetic acid [pH 6.5], 12% PEG 6000