5DK6

CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH) NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-17
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	P 65 2 2
Unit cell lengths	145.427, 145.427, 70.341
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.280 - 2.270
R-factor	0.21
Rwork	0.208
R-free	0.23710
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.201
Data reduction software	HKL-2000
Data scaling software	SCALEPACK (1.99.2)
Phasing software	PHENIX (1.9-1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000	2.360
High resolution limit [Å]	2.268	2.270
Rmerge	0.100	0.337
Number of reflections	37023
<I/σ(I)>	11.5	2.148
Completeness [%]	96.4	82.8
Redundancy	3.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	Protein (37.95 mg/ml, 20 mM HEPES pH 7.5, 150 mM Sodium Chloride, 5% v/v Glycerol, 5 mM DTT) were combined with an equal volume of Reservoir (100 mM Bicine pH 8.0, 1.98 M Ammonium Sulfate, 135 mM Sodium Succinate, 4 mM Glycine, 15 mM CYMAL-7); Cryoprotection (75 mM Bicine pH 8.0, 1.49 M Ammonium Sulfate, 101 mM Sodium Succinate, 3 mM Glycine, 11 mM CYMAL-7)