9HU0

Crystal structure of GH19 domain of D29-LysA in complex with product (GlcNAc)

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 21 21
Unit cell lengths	37.165, 56.577, 152.623
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.310 - 2.430
R-factor	0.205
Rwork	0.202
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.773
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.310	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.174	0.891
Number of reflections	12304	1286
<I/σ(I)>	6.1
Completeness [%]	96.6	97.9
Redundancy	3.9	4.1
CC(1/2)	0.983	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	13% (v/v) MPD, 9% (v/v) PEG 1K, 9% PEG (w/v) 3350, 0.1 M buffer pH 6.1, and DL-amino-acids (glutamic acid, alanine, glycine; lysine, serine) at 20 mM