1BV3

HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	295
Detector technology	CCD
Collection date	1998-05-15
Detector	SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	42.820, 42.020, 73.030
Unit cell angles	90.00, 104.26, 90.00

Refinement procedure

Resolution	10.000 - 1.850
Rwork	0.171
R-free	0.21700 *
Structure solution method	OTHER
RMSD bond length	0.019
RMSD bond angle	0.040
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	CCP4
Refinement software	CCP4

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.070	0.134
Total number of observations	55987 *
Number of reflections	21668
<I/σ(I)>	5.3	4.8
Completeness [%]	91.2	92.5
Redundancy	2.6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.7	4 *	drop consists of equal volume of enzyme and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop	sodium 4-(hydroxymercury)benzoate	1 (mM)
4	1	reservoir	ammonium sulfate	2.3-2.4 (M)
5	1	reservoir	Tris-HCl	50 (mM)
6	1	reservoir	sodium 4-(hydroxymercury)benzoate	1 (mM)