8XFQ

Structure of the alginate epimerase/lyase complexed with penta-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]	80
Detector technology	PIXEL
Collection date	2023-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	H 3
Unit cell lengths	122.050, 122.050, 118.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.280 - 2.250
R-factor	0.1684
Rwork	0.167
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.664
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.390
High resolution limit [Å]	2.250	2.250
Rmerge	0.180	1.668
Number of reflections	31252	5153
<I/σ(I)>	13.01	1.48
Completeness [%]	100.0	100
Redundancy	18.2	17.6
CC(1/2)	0.998	0.846

Crystallization Conditions

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