7ZLN

Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-31
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	56.687, 52.258, 77.491
Unit cell angles	90.00, 107.94, 90.00

Refinement procedure

Resolution	53.930 - 2.600
R-factor	0.2827
Rwork	0.280
R-free	0.33380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SBC
RMSD bond length	0.002
RMSD bond angle	0.553
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.010	2.670
High resolution limit [Å]	2.600	2.600
Rpim	0.763
Number of reflections	13506	962
<I/σ(I)>	2.9
Completeness [%]	99.9
Redundancy	3.7
CC(1/2)	0.103	0.005

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100mM Tris-bicine, PEG8K (9-14%), ethylene glycol (26-20%) with seeding