1BNT

CARBONIC ANHYDRASE II INHIBITOR

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1993-08
Detector	SIEMENS
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 - 2.150
R-factor	0.165
Rwork	0.165
Structure solution method	OTHER
Starting model (for MR)	1CBA
RMSD bond length	0.011
RMSD bond angle	26.000 *
Data reduction software	BUDDHA
Data scaling software	PROTEIN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	6.500
High resolution limit [Å]	2.150
Rmerge	0.099
Total number of observations	31321 *
Number of reflections	10031
Completeness [%]	73.0
Redundancy	3

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)