8R72

Polysaccharide lyase BtPL33HA (BT4410) Y291A with HA dp4 collected at 1.33 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)	1.33
Spacegroup name	P 21 21 21
Unit cell lengths	53.870, 137.400, 203.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.128 - 2.580
Rwork	0.219
R-free	0.28070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.492
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.870	2.660
High resolution limit [Å]	2.580	2.580
Number of reflections	48609	4374
<I/σ(I)>	8.4	1.5
Completeness [%]	100.0
Redundancy	6.5
CC(1/2)	0.989	0.574

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