7BLY

Structure of the chitin deacetylase AngCDA from Aspergillus niger

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980116
Spacegroup name	P 4 3 2
Unit cell lengths	119.874, 119.874, 119.874
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.380 - 1.810
R-factor	0.1542
Rwork	0.153
R-free	0.18550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y8u
RMSD bond length	0.006
RMSD bond angle	0.889
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.940	1.850
High resolution limit [Å]	1.810	1.810
Rpim	0.043	0.771
Number of reflections	27485	1613
<I/σ(I)>	18.6	1.9
Completeness [%]	100.0	100
Redundancy	77.5	79.66
CC(1/2)	0.999	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.4 M sodium malonate 0.1 M Bis-Tris propane pH 7