4H3Y

Crystal structure of an asymmetric dimer of a tRNA (guanine-(N(1)-)-methyltransferase from Burkholderia phymatum bound to S-adenosyl homocystein in one half-site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	58.970, 187.400, 127.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 2.500
R-factor	0.184
Rwork	0.181
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3axz
RMSD bond length	0.011
RMSD bond angle	1.465
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.060	0.019	0.544
Number of reflections	24828	272	1838
<I/σ(I)>	26.05	72.03	4.12
Completeness [%]	99.4	81	99.6
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	289	BuphA.00054.a.A1 PS01368 at 35.3 mg/mL against JCSG II screen condition F12, 0.1 M phosphate-citrate pH 4.2, 5% PEG 3000, 25% 1,2 propanediol, 10% glycerol, crystal tracking ID 230666f12, unique puck ID zjg9-5, VAPOR DIFFUSION, SITTING DROP, temperature 289K