4MCJ

Crystal structure of a putative nucleoside deoxyribosyltransferase (BDI_0649) from Parabacteroides distasonis ATCC 8503 at 2.40 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979493,0.918401,0.979338
Spacegroup name	C 1 2 1
Unit cell lengths	323.850, 65.629, 102.710
Unit cell angles	90.00, 90.48, 90.00

Refinement procedure

Resolution	29.277 - 2.400
R-factor	0.1864
Rwork	0.185
R-free	0.21250
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.277	29.277	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge		0.041	0.917
Total number of observations		3365	22106
Number of reflections	82726
<I/σ(I)>	7.2	12.1	0.8
Completeness [%]	97.8	93.5	97.2
Redundancy	3.6	3.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	0.0100M cobalt chloride, 1.00M 1,6-Hexanediol, 0.00% Ethanol, 0.1M sodium acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K