8GOL

crystal structure of SulE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	55.422, 166.661, 76.965
Unit cell angles	90.00, 109.74, 90.00

Refinement procedure

Resolution	49.780 - 1.600
Rwork	0.151
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q34
RMSD bond length	0.006
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (v 1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.780	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.069
Number of reflections	168217	22718
<I/σ(I)>	14.8
Completeness [%]	98.0
Redundancy	6.9
CC(1/2)	0.998	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG 4000