7ZLM

Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound MN551

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-26
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	59.785, 172.879, 185.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.370 - 1.790
R-factor	0.1907
Rwork	0.189
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SBC
RMSD bond length	0.008
RMSD bond angle	0.937
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]	78.370	1.820
High resolution limit [Å]	1.790	1.790
Rmerge		1.605
Number of reflections	181660	8234
<I/σ(I)>	7
Completeness [%]	99.3
Redundancy	4.5
CC(1/2)	0.991	0.351

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M Bis-Tris propane 6.5, 20 % w/v PEG 3350 with seeding