7SNO

Structure of Bacple_01701(H214N), a 6-O-galactose porphyran sulfatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 62
Unit cell lengths	154.720, 154.720, 45.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.660 - 2.100
R-factor	0.183
Rwork	0.181
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7snj
RMSD bond length	0.009
RMSD bond angle	1.036
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.100	2.100
Number of reflections	37128	57365
<I/σ(I)>	10.24	1.38
Completeness [%]	100.0
Redundancy	10.1
CC(1/2)	0.990	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	40% PEG 400, 100mM Sodium Citrate pH 5.5, 30% MPD