6EVS

Characterization of 2-deoxyribosyltransferase from psychrotolerant bacterium Bacillus psychrosaccharolyticus: a suitable biocatalyst for the industrial synthesis of antiviral and antitumoral nucleosides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	H 3
Unit cell lengths	107.547, 107.547, 61.244
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.070 - 1.900
R-factor	0.1793
Rwork	0.177
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s2g
RMSD bond length	0.009
RMSD bond angle	0.927
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.070	2.000
High resolution limit [Å]	1.900	1.900
Rmerge		0.534
Rmeas	0.050	0.598
Rpim	0.020	0.267
Number of reflections	20796	2998
<I/σ(I)>	14.8	2.9
Completeness [%]	100.0	100
Redundancy	5.2	4.9
CC(1/2)	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	in 3 M sodium nitrate, 0.1 M sodium acetate trihydrate, pH 4.6