Table 1.

Data collection and refinement statistics for the crystal structure of the chitin deacetylase of Aspergillus niger CBS 513.88

Data collection	AngCDA
Beam line	PROXIMA-2A
Space group	P432
Average unit cell (Å)	a = b = c = 119.87
Wavelength (Å)	0.98012
Resolution (Å)	48.94–1.81 (1.85–1.81)
Rpim	0.043 (0.771)
No. of unique reflections	27,485 (1613)
Mean I/σI	18.6 (1.9)
CC1/2	0.999 (0.716)
Completeness (%)	100.0 (100.0)
Average redundancy	77.5 (79.6)
Refinement
Resolution (Å)	42.38–1.81
Rfree/Rwork	18.55/15.26
Total number of atoms	1965
Water	237
Average B-factor	26.56
Ligands	ZN; MLI; CL
RMSD
Bonds	0.006
Angles	0.889
MolProbity analysis
Clashscore, all atoms	0.29 (100%)
MolProbity score	0.86 (100%)
PDB entry	7BLY

Values in parentheses refer to the outer resolution shell.