6M1C

Crystal structure of RsmD methyltransferase of M. tuberculosis in complex with sinefungin reveals key interactions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-10
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.887821
Spacegroup name	P 32 2 1
Unit cell lengths	55.191, 55.191, 99.641
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.800 - 2.401
R-factor	0.2052
Rwork	0.203
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p9n
RMSD bond length	0.007
RMSD bond angle	0.838
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	7293	745
<I/σ(I)>	12
Completeness [%]	100.0
Redundancy	9.2
CC(1/2)	0.999	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	297	0.1 MTris-HCl, 3.2 M Potassium acetate