7C5C

Crystal structure of SeFRS

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	2018-05-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9789
Spacegroup name	P 1 2 1
Unit cell lengths	52.612, 38.776, 82.311
Unit cell angles	90.00, 91.14, 90.00

Refinement procedure

Resolution	44.730 - 1.720
R-factor	0.1899
Rwork	0.188
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hjr
RMSD bond length	0.005
RMSD bond angle	0.764
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.730	1.750
High resolution limit [Å]	1.720	1.720
Rmerge	0.032	0.320
Rmeas	0.034	0.387
Number of reflections	35051	1201
<I/σ(I)>	25.9	2.3
Completeness [%]	97.9
Redundancy	6.3
CC(1/2)	0.999	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	20% Polyethylene glycol (PEG) 3350, 100mM Bis-Tris(pH5.5), 200mM MgCl2