3N58

Crystal structure of S-ADENOSYL-L-HOMOCYSTEINE hydrolase from brucella melitensis in ternary complex with NAD and adenosine, orthorhombic form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-30
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97740
Spacegroup name	P 21 21 21
Unit cell lengths	68.450, 165.230, 184.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 2.390
R-factor	0.175
Rwork	0.172
R-free	0.23500
Starting model (for MR)	2ziz
RMSD bond length	0.008
RMSD bond angle	1.192
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.270	2.450
High resolution limit [Å]	2.390	2.390
Rmerge	0.109	0.522
Number of reflections	83542
<I/σ(I)>	16.09	3.6
Completeness [%]	100.0	100
Redundancy	7.7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	JCSG SCREEN CONDITION D12: 20% V/ V GLYCEROL, 16% W/V PEG 8000, 40 MM POTASSIUM PHOSPHATE, PROTEIN AT 80 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K, pH 8.0