9H33

T2R-TTL-PROTAC2 complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	104.960, 156.660, 180.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.610 - 2.300
R-factor	0.2001
Rwork	0.199
R-free	0.22780
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.671
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.610	2.330
High resolution limit [Å]	2.300	2.300
Rmerge	0.142	3.556
Rmeas	0.144	3.621
Rpim	0.027	0.682
Number of reflections	132666	4382
<I/σ(I)>	15.92	0.81
Completeness [%]	100.0
Redundancy	27.5
CC(1/2)	1.000	0.447

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	4% PEG 4K, 13% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole, 5 mM L-tyrosine