6D2O

Beta Carbonic anhydrase in complex with 4-methylimidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-08-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	71.339, 77.511, 86.893
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.400 - 1.900
Rwork	0.187
R-free	0.22800
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.400	2.100
High resolution limit [Å]	1.900	1.900
Number of reflections	17661
<I/σ(I)>	11.9
Completeness [%]	94.6
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	50% PEG200; 20 mM Tris-HCl; pH 7.0