8R71

Polysaccharide lyase BtPL33HA (BT4410) Y291A with HAdp4 collected at 1.22 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.22
Spacegroup name	P 21 21 21
Unit cell lengths	53.633, 137.347, 202.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.660 - 1.920
Rwork	0.179
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.725
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.660	1.950
High resolution limit [Å]	1.920	1.920
Number of reflections	115460	5594
<I/σ(I)>	19.9	1.5
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	0.999	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	20 % PEG 6000 0.1 M MES pH 6.0 0.1 M Ammonium chloride 20 mg/ml