8EYL

Human Carbonic Anhydrase II with Tert-butyl (2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)carbamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	41.872, 41.036, 71.269
Unit cell angles	90.00, 103.95, 90.00

Refinement procedure

Resolution	40.640 - 1.180
R-factor	0.1818
Rwork	0.181
R-free	0.19320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e49
RMSD bond length	0.008
RMSD bond angle	1.087
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.640	1.210
High resolution limit [Å]	1.180	1.180
Rmerge	0.080
Rmeas	0.091
Number of reflections	71372	6011
<I/σ(I)>	15
Completeness [%]	99.0
Redundancy	4.1
CC(1/2)	0.999	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8)