1ZOS

Structure of 5'-methylthionadenosine/S-Adenosylhomocysteine nucleosidase from S. pneumoniae with a transition-state inhibitor MT-ImmA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-15
Detector	MARRESEARCH
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	80.571, 138.958, 84.755
Unit cell angles	90.00, 117.92, 90.00

Refinement procedure

Resolution	20.000 - 1.600
Rwork	0.193
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jys
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	193063
<I/σ(I)>	11.3	3
Completeness [%]	88.8	78.2
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	MPD, CaCl2, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K