4IG6

Crystal structure of a tRNA (guanine-N1)-methyltransferase from Anaplasma phagocytophilum bound to S-adenosylhomocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-24
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	105.110, 105.110, 92.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.920 - 2.400
R-factor	0.1767
Rwork	0.175
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3knu
RMSD bond length	0.010
RMSD bond angle	1.422
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.082	0.020	0.536
Number of reflections	20785	272	1501
<I/σ(I)>	20.95	68.67	4.31
Completeness [%]	99.7	92.2	99.9
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	289	AnphA.00316.a.A1 PS00323 at 21 mg/mL with 3 mM SAH against JCSG+ A4: 30% MPD, 20 mM calcium chloride, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K