8HE2

The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97925
Spacegroup name	P 21 21 21
Unit cell lengths	39.859, 65.528, 105.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.910 - 1.610
R-factor	0.1586
Rwork	0.157
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iw0
RMSD bond length	0.006
RMSD bond angle	1.004
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.140	0.442
Number of reflections	36811	1643
<I/σ(I)>	3.5
Completeness [%]	97.8
Redundancy	13.1

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