4BZR

Human testis angiotensin converting enzyme in complex with K-26

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-01
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	56.250, 84.505, 133.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.370 - 1.840
R-factor	0.2161
Rwork	0.214
R-free	0.25182
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o8a
RMSD bond length	0.007
RMSD bond angle	1.040
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000
High resolution limit [Å]	1.850	1.850
Rmerge	0.120	0.650
Number of reflections	55751
<I/σ(I)>	10.2	1.2
Completeness [%]	93.3	65.4
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.7		50MM SODIUM ACETATE PH 4.7, 16% PEG4000, 10UM ZNSO4