7BZ0

complex structure of alginate lyase AlyF-OU02 with G6

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	2018-05-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	105.983, 105.983, 101.665
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.2006
Rwork	0.199
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6itg
RMSD bond length	0.019
RMSD bond angle	1.977
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	1.800
High resolution limit [Å]	1.800	1.800
Rpim		0.457
Number of reflections	59934	3022
<I/σ(I)>	17.3
Completeness [%]	100.0
Redundancy	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288.15	2.4M sodium malonate pH7.0