3GLQ

Crystal structure of S-adenosyl-L-homocysteine hydrolase from Burkholderia pseudomallei in complex with 9-beta-D-arabino-furansyl-adenine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-05
Detector	RIGAKU SATIRN 944+
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	86.900, 86.900, 318.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.630 - 2.300
R-factor	0.152
Rwork	0.149
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d64 split in two domains: 12-224 and 227-391
RMSD bond length	0.018
RMSD bond angle	1.643
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.088	0.516
Number of reflections	52901
<I/σ(I)>	20.04	3.1
Completeness [%]	95.2	80.9
Redundancy	7.9	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	JCSG+ A2: 100MM NA CITRATE PH 5.5, 20% PEG 3000, BUPSA.00032.A AT 21.5MG/ML, VAPOR DIFFUSION, SITTING DROP, temperature 290K