8JA6

Structure of the alginate epimerase/lyase complexed with tri-mannuronic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	H 3
Unit cell lengths	121.710, 121.710, 120.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.300 - 2.000
R-factor	0.1555
Rwork	0.154
R-free	0.17760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.925
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.098	1.524
Rmeas	0.100	1.560
Rpim	0.021	0.329
Number of reflections	45050	4519
<I/σ(I)>	18.02	1.79
Completeness [%]	100.0	100
Redundancy	21.9	22.2
CC(1/2)	0.999	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M sodium acetate, pH4.5-pH4.9, 24-30% w/v PEG 4000, 15% v/v glycerol