8OMN

Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl VK4

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-18
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.54187
Spacegroup name	P 1 21 1
Unit cell lengths	42.140, 41.370, 72.080
Unit cell angles	90.00, 104.39, 90.00

Refinement procedure

Resolution	35.590 - 1.400
R-factor	0.16401
Rwork	0.163
R-free	0.19003
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6yzx
RMSD bond length	0.010
RMSD bond angle	1.539
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	1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.054	0.039	0.309
Rmeas	0.061	0.043	0.425
Number of reflections	41309	571	890
<I/σ(I)>	12.54
Completeness [%]	86.7
Redundancy	3.4
CC(1/2)	0.998	0.998	0.812

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