8QH8

Human Carbonic Anhydrase II in complex with Lasamide (2,4-Dichloro 5-sulfamoyl benzoic acid)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9718
Spacegroup name	P 1 21 1
Unit cell lengths	42.280, 41.300, 72.220
Unit cell angles	90.00, 104.37, 90.00

Refinement procedure

Resolution	69.960 - 1.040
R-factor	0.11934
Rwork	0.118
R-free	0.13657
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.784
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.962	69.962	0.960
High resolution limit [Å]	0.910	2.720	0.910
Rmerge	0.059	0.039	1.746
Rmeas	0.065	0.042	2.246
Number of reflections	115908	6665	6669
<I/σ(I)>	11.98
Completeness [%]	83.6
Redundancy	5.4
CC(1/2)	0.999	0.999	0.143

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	1.5 M sodium citrate, 20 mM Tris-HCl (pH 8.0)