6KZK

Structure of alginate lyase Aly36B mutant K143A/M171A in complex with alginate trisaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	105.770, 188.316, 91.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.842 - 2.789
R-factor	0.1982
Rwork	0.195
R-free	0.27310
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.306
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.789	2.789
Rmerge	0.183	0.395
Number of reflections	21758	1088
<I/σ(I)>	15.2
Completeness [%]	97.2
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	potassium phosphate dibasic, PEG3350