6W14

Crystal structure of tRNA (guanine-N(1)-)-methyltransferase from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-04
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	58.460, 58.460, 114.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.890 - 2.000
R-factor	0.2181
Rwork	0.211
R-free	0.27930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zhi
RMSD bond length	0.006
RMSD bond angle	0.788
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.075	0.054	0.617
Rmeas	0.078	0.056	0.668
Number of reflections	13969	204	1018
<I/σ(I)>	18.41	40.65	2.8
Completeness [%]	99.2	99	99.7
Redundancy	12.771	10.657	7.06
CC(1/2)	0.999	0.998	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	MysmA.00937.a.AE1.PW38670 at 19.05 mg/ml mixed 1:1 with MCSG1(d3): 30% (v/v) PEG-400, 0.1 M Tris-HCl. pH = 8.5, 0.2 M MgCl2. Tray: 311556d3. Puck: wdc6-11.