6EXI

NAD-free crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii complexed with adenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	90.635, 124.360, 92.721
Unit cell angles	90.00, 103.71, 90.00

Refinement procedure

Resolution	47.083 - 1.918
R-factor	0.1729
Rwork	0.173
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m66
RMSD bond length	0.013
RMSD bond angle	1.178
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]	47.083	2.030
High resolution limit [Å]	1.920	1.920
Rmerge	0.124
Rmeas	0.137
Number of reflections	151344	24151
<I/σ(I)>	10.12	2.16
Completeness [%]	99.3	98.4
Redundancy	5.7	5.6
CC(1/2)	0.996	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	0.3 M sodium acetate, 16% PEG 400, 0.1 M Tris pH 8.5