8OLF

Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor BS1982

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-12
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.54187
Spacegroup name	P 1 21 1
Unit cell lengths	41.840, 41.180, 71.910
Unit cell angles	90.00, 103.88, 90.00

Refinement procedure

Resolution	40.620 - 1.450
R-factor	0.15707
Rwork	0.156
R-free	0.17721
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6yzx
RMSD bond length	0.011
RMSD bond angle	1.563
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.488
High resolution limit [Å]	1.450	1.450
Rmerge	0.065
Number of reflections	39457	1526
<I/σ(I)>	7.2
Completeness [%]	93.0	49.12
Redundancy	1.8
CC(1/2)	0.993	0.520

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