5M66

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

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	2013-04-20
Detector	RAYONIX MX-225
Wavelength(s)	0.918
Spacegroup name	P 21 21 2
Unit cell lengths	106.437, 173.622, 97.425
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.900 - 1.951
R-factor	0.1698
Rwork	0.169
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lvc
RMSD bond length	0.017
RMSD bond angle	1.539
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]	46.900	2.070
High resolution limit [Å]	1.950	1.960
Rmerge	0.087	0.740
Number of reflections	130113
<I/σ(I)>	13.01	1.93
Completeness [%]	98.9	96
Redundancy	3.7	3.67
CC(1/2)		0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	292	0.3 sodium acetate, 16% PEG 4000, 0.1 M Tris pH 9.0