8HSN

Crystal structure of DFA I-forming Inulin Lyase from Streptomyces peucetius subsp. caesius ATCC 27952

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	2020-12-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	97.680, 102.510, 132.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.810 - 1.690
R-factor	0.137
Rwork	0.137
R-free	0.15120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.046
Data reduction software	XDS (BUILT=20220220)
Data scaling software	XSCALE (BUILT=20220220)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.810	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.085	0.360
Rmeas	0.088	0.374
Number of reflections	147518	14488
<I/σ(I)>	22.8
Completeness [%]	99.0
Redundancy	13.3
CC(1/2)	0.999	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289.15	0.1 M MES monohydrate, 12% Polyethylene glycol 20,000