6W15

Crystal structure of tRNA (guanine-N(1)-)-methyltransferase with bound SAH 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	2019-10-09
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	59.100, 59.100, 114.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.790 - 2.000
R-factor	0.2087
Rwork	0.203
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zhi
RMSD bond length	0.006
RMSD bond angle	0.805
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
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	0.037	0.017	0.621
Rmeas	0.038	0.018	0.642
Number of reflections	14157	207	1043
<I/σ(I)>	55.1	161.19	4.76
Completeness [%]	98.4	98.6	99.9
Redundancy	24.126	20.411	16.159
CC(1/2)	1.000	1.000	0.987

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, incubated with 5 mM SAH, mixed 1:1 with MCSG1(a10): 28% (v/v) PPG P400, 0.1 M HEPES:NaOH, pH = 7.5, 0.2 M CaCl2. Tray: 311562a10. Puck: dcp5-10.