5M67

Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenine and 2'-deoxyadenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.969
Spacegroup name	P 21 21 2
Unit cell lengths	107.484, 174.532, 96.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.633 - 1.540
R-factor	0.1447
Rwork	0.145
R-free	0.17570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lvc
RMSD bond length	0.016
RMSD bond angle	1.506
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]	43.633	1.630
High resolution limit [Å]	1.540	1.540
Rmerge	0.096	1.021
Number of reflections	268793
<I/σ(I)>	15.41	2.19
Completeness [%]	99.6	98.3
Redundancy	9.3	9.08
CC(1/2)		0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	0.3 M sodium acetate, 14% PEG 4000, 0.1 M Tris pH 8.0