1BN4

CARBONIC ANHYDRASE II INHIBITOR

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1994-07
Detector	RIGAKU RAXIS
Spacegroup name	P 1 21 1
Unit cell lengths	42.700, 41.700, 73.000
Unit cell angles	90.00, 104.60, 90.00

Refinement procedure

Resolution	6.500 - 2.100
R-factor	0.163
Rwork	0.163
Structure solution method	OTHER
Starting model (for MR)	2cba
RMSD bond length	0.007
RMSD bond angle	25.300 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	6.500
High resolution limit [Å]	2.100
Rmerge	0.036
Total number of observations	51206 *
Number of reflections	13265
Completeness [%]	90.0
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *		pH 10.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	6.7-7.4 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	reservoir	Tris-HCl	50 (mM)
4	1	reservoir	ammonium sulfate	1.75-2.50 (M)