8HF9

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 BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	39.669, 65.727, 105.362
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.960 - 1.960
R-factor	0.1977
Rwork	0.195
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iw0
RMSD bond length	0.010
RMSD bond angle	0.958
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	1.990
High resolution limit [Å]	1.960	1.960
Rmerge	0.147	0.413
Number of reflections	20522	915
<I/σ(I)>	4.8
Completeness [%]	99.3
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	1260mM Ammonium sulfate, 100mM Sodium cacodylate/Hydrochloric acid pH 6.5