7Q2B

mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT218

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93930
Spacegroup name	P 31 2 1
Unit cell lengths	57.289, 57.289, 205.992
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.250 - 1.850
R-factor	0.16884
Rwork	0.167
R-free	0.20590
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2fk7
RMSD bond length	0.007
RMSD bond angle	1.338
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.210	1.960
High resolution limit [Å]	1.850	1.850
Rmeas	0.090	0.880
Number of reflections	34499	5438
<I/σ(I)>	11.49	1.77
Completeness [%]	99.8	99.7
Redundancy	5.98	6.02
CC(1/2)	0.996	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	285	BisTris 50 mM, PEG 3350 4% (w/v), pH 6.5