6BCC

Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	42.800, 41.700, 72.900
Unit cell angles	90.00, 104.60, 90.00

Refinement procedure

Resolution	15.470 - 1.800
Rwork	0.168
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c8i
Refinement software	nCNS (1.0.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.700
Rmerge	0.075
Number of reflections	25630
<I/σ(I)>	13.2
Completeness [%]	92.6
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.6 M sodium citrate, 50 mM TRIS pH 8.0
1	VAPOR DIFFUSION, SITTING DROP		293	1.6 M sodium citrate, 50 mM TRIS pH 8.0