8TXA

Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97935
Spacegroup name	P 1
Unit cell lengths	56.940, 60.797, 68.072
Unit cell angles	97.05, 111.99, 100.69

Refinement procedure

Resolution	22.980 - 1.591
R-factor	0.1894
Rwork	0.188
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.702	61.702	1.783
High resolution limit [Å]	1.591	5.125	1.591
Rmerge	0.069	0.035	0.653
Rmeas	0.083	0.042	0.781
Rpim	0.045	0.023	0.423
Total number of observations	206326	10389	10236
Number of reflections	64981	3249	3249
<I/σ(I)>	8.67	21.98	1.72
Completeness [%]	85.8	99.5	63.8
Completeness (spherical) [%]	59.5	99.5	10.2
Completeness (ellipsoidal) [%]	85.8	99.5	63.8
Redundancy	3.18	3.2	3.15
CC(1/2)	0.996	0.992	0.712
Anomalous completeness (spherical)	54.8	93.0	8.3
Anomalous completeness	79.1	93.0	52.1
Anomalous redundancy	1.7	1.7	1.7
CC(ano)	0.038	0.083	-0.007
|DANO|/σ(DANO)	0.8	0.7	0.7

Diffraction limits	Principal axes of ellipsoid fitted to diffraction cut-off surface
1.590 Å	0.725, 0.725, 0.725
1.826 Å	0.101, 0.101, 0.101
2.005 Å	-0.681, -0.681, -0.681
Criteria used in determination of diffraction limits	local <I/sigmaI> ≥ 1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200 ul of 0.2M MgCl2 0.1M Tris-HCl, pH 8.0; 20% (w/v) PEG 6000