6BTG

Crystal structure of deoxyribose-phosphate aldolase bound with DHAP from Bacillus Thuringiensis

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	2017-04-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 4 21 2
Unit cell lengths	105.104, 105.104, 49.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.981 - 1.698
R-factor	0.1883
Rwork	0.186
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c24
RMSD bond length	0.007
RMSD bond angle	1.029
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]	35.981	1.759
High resolution limit [Å]	1.698	1.698
Rmerge	0.060	0.571
Rmeas	0.061	0.061
Number of reflections	31070	3017
<I/σ(I)>	41.77	6.74
Completeness [%]	99.8	98.43
Redundancy	28.2	27.9
CC(1/2)	1.000	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	200 mM NaCl, 26 % (v/v) PEG-3350, 100 mM HEPES pH 7.5