6JP4

Crystal structure of the catalytic domain of a multi-domain alginate lyase Dp0100 from thermophilic bacterium Defluviitalea phaphyphila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-23
Detector	ADSC QUANTUM 1
Wavelength(s)	0.97179
Spacegroup name	C 2 2 21
Unit cell lengths	261.324, 394.812, 112.187
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	98.898 - 2.069
Rwork	0.222
R-free	0.24020
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.515
Data reduction software	Aimless
Data scaling software	pointless
Phasing software	SHELX
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.898	2.110
High resolution limit [Å]	2.069	2.069
Number of reflections	348350	16738
<I/σ(I)>	11	1.1
Completeness [%]	99.5
Redundancy	7.3
CC(1/2)	0.992	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	298	15% PEG 6000, 0.1 M magnesium acetate