9FZ9

Glycoside Hydrolase Family 157 from Labilibaculum antarcticum, wild type SeMet derivative (LaGH157)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97942
Spacegroup name	P 21 21 21
Unit cell lengths	103.154, 112.582, 251.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.410 - 2.443
Rwork	0.249
R-free	0.26200
Structure solution method	SAD
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.410	2.530
High resolution limit [Å]	2.440	2.440
Rmerge	0.128	1.018
Rmeas	0.134	1.130
Rpim	0.039	0.474
Total number of observations	1105365	35632
Number of reflections	102074	6816
<I/σ(I)>	14.5	1.3
Completeness [%]	93.7
Redundancy	10.8	5.2
CC(1/2)	0.998	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	4% (v/v) tacsimate pH 6.0, 12% (w/v) PolyEthylene Glycol 3,350 (PEG 3350)