3X2F

A Thermophilic S-Adenosylhomocysteine Hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	148.600, 148.600, 84.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.040
Rwork	0.188
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b3r
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.110
High resolution limit [Å]	2.040	2.040
Rmerge	0.071	0.483
Number of reflections	68071
<I/σ(I)>	41.2	5.04
Completeness [%]	100.0	100
Redundancy	10.7	48.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	4.3M NaNO3, 0.1M NaAc, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K