8OLM

Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-26
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.45187
Spacegroup name	P 1 21 1
Unit cell lengths	42.130, 41.170, 72.330
Unit cell angles	90.00, 104.44, 90.00

Refinement procedure

Resolution	31.960 - 1.500
R-factor	0.18317
Rwork	0.182
R-free	0.19746
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.805
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.040	0.029	0.482
Rmeas	0.046	0.032	0.649
Number of reflections	37856	469	2517
<I/σ(I)>	17.77
Completeness [%]	97.7
Redundancy	3.4
CC(1/2)	0.999	0.999	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	1.6 M sodium citrate, 50 mM Tris-H2SO4