8CKK

Semaphorin-5A TSR 3-4 domains in complex with nitrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	51.894, 68.347, 85.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.750 - 1.560
R-factor	0.1981
Rwork	0.197
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.629
Data reduction software	XDS
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]	53.390	1.768
High resolution limit [Å]	1.557	1.557
Rmerge	0.123	1.564
Rmeas	0.128	1.633
Rpim	0.036	0.465
Number of reflections	24530	1226
<I/σ(I)>	11.2	1.9
Completeness [%]	55.4	8.9
Redundancy	12.7	12.2
CC(1/2)	0.996	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M BIS-TRIS propane, 6 M ammonium nitrate