8HE4

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	39.754, 65.693, 106.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.170 - 1.930
R-factor	0.1748
Rwork	0.173
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iw0
RMSD bond length	0.013
RMSD bond angle	1.111
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	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.173	0.497
Number of reflections	21798	1058
<I/σ(I)>	2.9
Completeness [%]	99.9
Redundancy	12.4

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