7W13

Complex structure of alginate lyase PyAly with M8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-24
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	47.313, 64.523, 73.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.840 - 1.650
R-factor	0.2109
Rwork	0.209
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	2.112
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.650
High resolution limit [Å]	1.620	1.620
Number of reflections	29611	1467
<I/σ(I)>	30.4
Completeness [%]	99.9	100
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288.15	Imidazole, Jeffamine ED-2001