7STT

Crystal structure of sulfatase from Pedobacter yulinensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	83.620, 83.620, 116.052
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.366 - 1.603
Rwork	0.148
R-free	0.17790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ust
RMSD bond length	0.014
RMSD bond angle	1.842
Data reduction software	HKL-2000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.068	0.449
Rmeas	0.079	0.487
Rpim	0.024	0.186
Number of reflections	59449	2069
<I/σ(I)>	35.25	2
Completeness [%]	95.7	67.5
Redundancy	10.6	5.8
CC(1/2)	0.996	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	2.4 M sodium malonate pH 7.0