8HFA

The structure of chitin deacetylase VdPDA1 from Verticillium dahliae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 2
Unit cell lengths	138.617, 125.899, 127.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.360 - 2.640
R-factor	0.1934
Rwork	0.192
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iw0
RMSD bond length	0.008
RMSD bond angle	0.988
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.640	2.640
Rmerge	0.144	0.520
Number of reflections	65718	3227
<I/σ(I)>	4.1
Completeness [%]	100.0
Redundancy	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	1.1M Sodium malonate, 0.1M HEPES pH 7.0, 0.5% v/v Jeffamine ED-2001