9HU2

Crystal structure of GH19 domain of D29-LysA in complex with products (GlcNAc y GlcNAc2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-13
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 2 21
Unit cell lengths	78.707, 84.205, 135.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.810 - 3.100
R-factor	0.247
Rwork	0.245
R-free	0.28420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.446
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.810	3.310
High resolution limit [Å]	3.100	3.100
Rpim	0.136	0.710
Number of reflections	16002	2889
<I/σ(I)>	5.2
Completeness [%]	95.2	96.4
Redundancy	4.6	4.8
CC(1/2)	0.985	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	9% MPD, 9% PEG 1K, 9% PEG 3350, 0.1 M Tris/BICINE pH 8.5, 30mM MgCl2, 30mM CaCl2