7STV

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]	295
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	82.728, 82.728, 115.292
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.232 - 2.350
Rwork	0.172
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7stt
RMSD bond length	0.005
RMSD bond angle	1.313
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	2.380
High resolution limit [Å]	2.340	2.340
Rmerge	0.101	0.489
Rmeas	0.148	0.525
Rpim	0.048	0.175
Number of reflections	19275	936
<I/σ(I)>	18.5	2
Completeness [%]	98.8	98.7
Redundancy	9.2	6.7
CC(1/2)	0.998	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	0.1 M sodium citrate pH 5.5, 20% w/v polyethylene glycol 3000