9HRM

Crystal Structure of GH19 domain of D29-LysA (Form III)

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	37.048, 57.040, 151.305
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.370 - 2.040
R-factor	0.1807
Rwork	0.178
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.774
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.040	2.100
High resolution limit [Å]	2.040	2.040
Rpim	0.121	0.558
Number of reflections	20836	1595
<I/σ(I)>	5.5
Completeness [%]	98.5	99.6
Redundancy	3.9
CC(1/2)	0.979	0.514

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 buffer pH 6.1, and DL-amino-acids (glutamic acid, alanine, glycine; lysine, serine) at 20 mM