1UZF

Complex of the anti-hypertensive drug captopril an the human testicular angiotensin I-converting enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	56.650, 84.900, 133.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.184
Rwork	0.184
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.092	0.428
Number of reflections	36760
<I/σ(I)>	10	2.9
Completeness [%]	82.8	78
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		pH 4.60