8R6Z

Polysaccharide lyase BtPL33HA (BT4410) Apo form 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	53.529, 137.672, 202.506
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	113.850 - 2.030
Rwork	0.191
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.539
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.850	2.170
High resolution limit [Å]	2.030	2.030
Number of reflections	73386	3670
<I/σ(I)>	6.6	1.6
Completeness [%]	90.8
Redundancy	5.9
CC(1/2)	0.990	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	20 % PEG 6000 0.1M MES pH6.0 0.1 M Ammonium chloride 20 mg/ml