4G67

Crystal structure of a COG1565 superfamily member and likely methyl transferase from Burkholderia thailandensis bound to S-adenosyl-homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.977408
Spacegroup name	P 21 21 21
Unit cell lengths	45.630, 74.550, 111.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.760 - 1.800
R-factor	0.1605
Rwork	0.159
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.521
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.098	0.032	0.522
Number of reflections	35828	471	2397
<I/σ(I)>	13.31	33.86	2.54
Completeness [%]	99.0	99.6	91.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	289	ButhA.17973.a.A1 PS01383 at 20 mg/mL with 2 mM SAH against JCSG+ H7 focus screen, 0.2 M ammonium sulfate, 0.1 M BisTris, 18% PEG 3350 and 15% ethylene glycol as cryo-protectant, crystal tracking ID 234263h3, unique puck ID xgv5-2, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 289K