8GOY

SulE P44R

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	2018-09-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	51.353, 139.450, 58.125
Unit cell angles	90.00, 101.67, 90.00

Refinement procedure

Resolution	47.310 - 1.784
Rwork	0.159
R-free	0.18530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q34
RMSD bond length	0.007
RMSD bond angle	0.918
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (v1.16)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.310	1.820
High resolution limit [Å]	1.780	1.780
Number of reflections	74840	3200
<I/σ(I)>	11.7
Completeness [%]	98.3
Redundancy	6.3
CC(1/2)	0.997	0.572

Crystallization Conditions

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