6BTD

Crystal structure of deoxyribose-phosphate aldolase from Bacillus Thuringiensis involved in dispatching the ubiquitous radical SAM enzyme byproduct 5-deoxyribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 4 21 2
Unit cell lengths	103.724, 103.724, 48.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.547 - 1.551
R-factor	0.1655
Rwork	0.165
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c24
RMSD bond length	0.006
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.550	1.606
High resolution limit [Å]	1.550	1.551
Rmerge	0.063	0.510
Rmeas	0.064	0.064
Number of reflections	39118	3800
<I/σ(I)>	41.73	7.37
Completeness [%]	99.9	99.29
Redundancy	28.7	28.3
CC(1/2)	1.000	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	200 mM NaCl, 25 % (v/v) PEG-3350, 100 mM HEPES pH 7.5