8OMH

Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl (BS1982)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-04
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.54187
Spacegroup name	P 1 21 1
Unit cell lengths	42.240, 41.370, 71.800
Unit cell angles	90.00, 104.41, 90.00

Refinement procedure

Resolution	31.960 - 1.450
R-factor	0.15831
Rwork	0.157
R-free	0.17923
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6yzx
RMSD bond length	0.010
RMSD bond angle	1.490
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.030	0.212
Number of reflections	39046	1272
<I/σ(I)>	25.5	3.3
Completeness [%]	91.2	40.8
Redundancy	3.8	1.2
CC(1/2)	1.000	0.920

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