8JSD

Alginate lyase mutant-D180G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-07
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 31
Unit cell lengths	72.120, 72.120, 52.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.230 - 1.414
Rwork	0.141
R-free	0.16760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.036
Data reduction software	autoPROC
Data scaling software	autoXDS
Phasing software	PHASER
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.230	1.465
High resolution limit [Å]	1.414	1.414
Rmerge	0.047	0.432
Rmeas	0.050	0.486
Rpim	0.016	0.214
Number of reflections	55650	5177
<I/σ(I)>	22.74
Completeness [%]	96.1	89.86
Redundancy	8.9	4.8
CC(1/2)	0.999	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	DL-Malic acid