3MMS

Crystal structure of Streptococcus pneumoniae MTA/SAH nucleosidase in complex with 8-aminoadenine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-04-16
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	I 41 3 2
Unit cell lengths	145.720, 145.720, 145.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.600
Rwork	0.182
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.580	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.041	0.241
Number of reflections	34861
<I/σ(I)>	13.6	2.8
Completeness [%]	99.7	98.1
Redundancy	17.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.26 M sodium citrate, 90 mM sodium HEPES, pH 7.5, 10 % (v/v) glycerol, vapor diffusion, hanging drop, temperature 298K