8CKL

Semaphorin-5A TSR 3-4 domains in complex with sucrose octasulfate (SOS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	106.106, 30.770, 84.172
Unit cell angles	90.00, 99.97, 90.00

Refinement procedure

Resolution	82.900 - 2.560
R-factor	0.2566
Rwork	0.255
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.561
Data reduction software	XDS (BUILT 20200417)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.900	2.841
High resolution limit [Å]	2.560	2.561
Rmerge	0.143	2.670
Rmeas	0.156	2.889
Rpim	0.061	1.091
Number of reflections	5008	250
<I/σ(I)>	8.2	0.8
Completeness [%]	55.9	10.7
Redundancy	6.6	6.6
CC(1/2)	0.994	0.098

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	8 % PEG 8000, 0.1 M sodium citrate