8QHG

Human Carbonic Anhydrase IX mimic 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	I 4 3 2
Unit cell lengths	157.330, 157.330, 157.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.665 - 1.910
Rwork	0.192
R-free	0.21980
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.558
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]	78.665	78.665	1.943
High resolution limit [Å]	1.910	5.185	1.910
Rmerge	0.127	0.029	2.644
Rmeas	0.128	0.029	2.667
Number of reflections	26027	1451	1279
<I/σ(I)>	44.4
Completeness [%]	100.0
Redundancy	58.3
CC(1/2)	1.000	1.000	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	1.5 M sodium citrate, 50 mM Tris-HCl (pH 7.5)