6A40

complex structure of Alginate lyase AlyF-OU02 with G4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-05-26
Detector	RDI CMOS_8M
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	106.212, 106.212, 100.846
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.16787
Rwork	0.166
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z9t
RMSD bond length	0.018
RMSD bond angle	1.862
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	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	59839
<I/σ(I)>	16.3
Completeness [%]	100.0
Redundancy	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	288	0.2M CaCl2, pH7.5 HEPES, 28%PEG400