1R42

Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	140
Detector technology	AREA DETECTOR
Collection date	2001-06-21
Wavelength(s)	1.28
Spacegroup name	C 1 2 1
Unit cell lengths	103.638, 89.478, 112.399
Unit cell angles	90.00, 109.15, 90.00

Refinement procedure

Resolution	46.700 * - 2.200
Rwork	0.235
R-free	0.28700
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	21.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNX (2002)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700 *
High resolution limit [Å]	2.200	2.200 *
Rmerge	0.057 *	0.408 *
Number of reflections	47465 *	5982 *
<I/σ(I)>	21.4
Completeness [%]	96.3	81.8 *
Redundancy	15.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	16-18 *	100 mM Tris-HCl, 200 mM MgCl2, 14% PEG 8000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	Tris-HCl	100 (mM)	pH8.5
3	1	reservoir		200 (mM)
4	1	reservoir	PEG8000	14 (%)