7Q2F

mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT585

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95373
Spacegroup name	P 31 2 1
Unit cell lengths	57.110, 57.110, 204.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.460 - 1.850
R-factor	0.19142
Rwork	0.189
R-free	0.22933
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2fk7
RMSD bond length	0.004
RMSD bond angle	1.199
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.460	1.880
High resolution limit [Å]	1.850	1.850
Rmeas	0.175	1.299
Number of reflections	33526	1649
<I/σ(I)>	7.2	1.4
Completeness [%]	98.3	99.9
Redundancy	5.9	5.2
CC(1/2)	0.980	0.531

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