5V48

Soluble rabbit neprilysin in complex with thiorphan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0722
Spacegroup name	P 21 21 21
Unit cell lengths	68.994, 108.446, 211.887
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.471 - 2.997
R-factor	0.1986
Rwork	0.195
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xbh
RMSD bond length	0.004
RMSD bond angle	0.377
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.110
High resolution limit [Å]	2.996	6.460	3.000
Rmerge	0.058	0.030	0.202
Number of reflections	27886
<I/σ(I)>	11.1
Completeness [%]	85.2	91	71.7
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	PEG4000, magnesium chloride, sodium cacodylate.