4G89

Crystal structure of k. pneumoniae mta/adohcy nucleosidase in complex with fragmented s-adenosyl-l-homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2006-09-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	115.346, 59.242, 82.926
Unit cell angles	90.00, 128.46, 90.00

Refinement procedure

Resolution	30.640 - 2.100
R-factor	0.16307
Rwork	0.160
R-free	0.21982
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	S.AUREUS MTAN
RMSD bond length	0.016
RMSD bond angle	1.789
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.640	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.097	0.449
Number of reflections	25670
<I/σ(I)>	13.6	2.8
Completeness [%]	100.0	100
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	1.67M AMMONIUM SULPHATE, 80MM HEPES PH 7.5, 1.7% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	1.67M AMMONIUM SULPHATE, 80MM HEPES PH 7.5, 1.7% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 294K