7Q2E

mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT424

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976251
Spacegroup name	P 31 2 1
Unit cell lengths	56.772, 56.772, 207.019
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.170 - 1.930
R-factor	0.18737
Rwork	0.185
R-free	0.23747
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2fk7
RMSD bond length	0.005
RMSD bond angle	1.296
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.120
High resolution limit [Å]	2.000	2.000
Rmeas	0.057	0.770
Number of reflections	27163	4292
<I/σ(I)>	17.27	2.35
Completeness [%]	99.6	99.7
Redundancy	6.72	6.51
CC(1/2)	0.999	0.842

Crystallization Conditions

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