5M65

Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-16
Detector	RAYONIX MX-225
Wavelength(s)	0.918
Spacegroup name	P 21 21 2
Unit cell lengths	100.665, 103.051, 90.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.866 - 1.945
R-factor	0.1775
Rwork	0.177
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lvc
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.870	2.060
High resolution limit [Å]	1.945	1.945
Rmerge	0.131	0.739
Number of reflections	69284
<I/σ(I)>	10.06	2.17
Completeness [%]	99.1	97.3
Redundancy	4.1	4.06
CC(1/2)		0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.09 M halogens (iodine, bromide, chloride), 40% Ethylene glycol, 20% PEG 8000, 0.1 M imidazole, 0.1 M MES pH 6.5