8EMU

Human Carbonic Anhydrase II Heterobifunctional Degraders

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2022-02-11
Detector	APEX II CCD
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	42.174, 41.370, 71.834
Unit cell angles	90.00, 103.90, 90.00

Refinement procedure

Resolution	40.940 - 1.130
R-factor	0.2151
Rwork	0.215
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e49
RMSD bond length	0.008
RMSD bond angle	1.134
Data reduction software	APEX
Data scaling software	APEX
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.970	1.170
High resolution limit [Å]	1.130	1.130
Rmerge	0.091	0.587
Rmeas		0.713
Rpim		0.397
Number of reflections	159570	7193
<I/σ(I)>	12	2.1
Completeness [%]	96.0
Redundancy	5.8
CC(1/2)	0.999	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8)