8QZK

Catalytic core of endo-alpha-N-acetylgalactosaminidase from Bifidobacterium longum (EngBF) concieved by deep network hallucination: dEngBF4 Hexagonal form

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-21
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8731
Spacegroup name	P 61
Unit cell lengths	109.541, 109.541, 62.094
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.950 - 3.250
R-factor	0.2333
Rwork	0.231
R-free	0.27480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.563
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.950	3.340
High resolution limit [Å]	3.250	3.250
Number of reflections	14461	2640
<I/σ(I)>	8.5
Completeness [%]	97.7
Redundancy	2.4
CC(1/2)	0.990	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	18% (w/v) PEG SM, 10% (w/v) ethylene glycol, 0.10 M MgSO4, and 0.1 M KCl