4KN5

Crystal structure of a putative methylthioadenosine nucleosidase from Weissella paramesenteroides ATCC 33313 (Target NYSGRC-029342 )

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	2013-03-29
Detector	RAYONIX MX225HE
Wavelength(s)	0.979310
Spacegroup name	P 43 21 2
Unit cell lengths	89.252, 89.252, 127.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.120 - 1.700
R-factor	0.1808
Rwork	0.179
R-free	0.21140
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.502
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELX (C)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.380	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.113	1.986
Number of reflections	57368
<I/σ(I)>	27.8	2.3
Completeness [%]	100.0	99.8
Redundancy	29.2	27.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (20mM HEPES pH7.5, 150mM NaCl, 5% glycerol, and 5mM DTT); Reservoir (MCSG3 #47: 0.1 M HEPES:NaOH pH 7.5, 0.8 M NaH2PO4, 0.8 M KH2PO4 ); Cryoprotection (33% Ethylene glycol), VAPOR DIFFUSION, SITTING DROP, temperature 298K