8QHJ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-02
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8731
Spacegroup name	P 1 21 1
Unit cell lengths	42.164, 41.572, 71.966
Unit cell angles	90.00, 104.02, 90.00

Refinement procedure

Resolution	39.740 - 1.620
R-factor	0.18483
Rwork	0.183
R-free	0.21763
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.566
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.740	1.650
High resolution limit [Å]	1.620	1.620
Number of reflections	30766	1497
<I/σ(I)>	8.1
Completeness [%]	99.2
Redundancy	2.8
CC(1/2)	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	2.6 M ammonium sulfate, 100 mM Tris-HCl (pH 8.3)