1UZE

Complex of the anti-hypertensive drug enalaprilat and 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	56.720, 85.350, 133.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.820
R-factor	0.188
Rwork	0.188
R-free	0.21100
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	1.890
High resolution limit [Å]	1.820	1.820
Rmerge	0.089	0.406
Number of reflections	58651
<I/σ(I)>	21	4.7
Completeness [%]	99.0	96.7
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		pH 4.60