8GYG

Purification ,Crystallization and X-ray Diffraction analysis of a novel arysulfatase from Pseudoalteromonas atlantica T6c

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	2022-01-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	55.170, 61.380, 89.600
Unit cell angles	90.00, 97.88, 90.00

Refinement procedure

Resolution	29.585 - 2.000
R-factor	0.2025
Rwork	0.200
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nks
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.610	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.117	1.077
Number of reflections	85833	6332
<I/σ(I)>	8.3
Completeness [%]	99.7
Redundancy	6.1
CC(1/2)	0.995	0.528

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	297	2o%PEG 3350, 0.2M Sodium Thiocyamate