7Q2H

mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT275

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.953700
Spacegroup name	P 31 2 1
Unit cell lengths	56.619, 56.619, 207.667
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.080 - 1.750
R-factor	0.17984
Rwork	0.178
R-free	0.21054
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2fk7
RMSD bond length	0.003
RMSD bond angle	1.164
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.030	1.860
High resolution limit [Å]	1.750	1.750
Rmeas	0.095	0.804
Number of reflections	40075	6368
<I/σ(I)>	13.72	2.61
Completeness [%]	99.5	99.7
Redundancy	8.89	8.79
CC(1/2)	0.996	0.890

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