4ZR5

Soluble rabbit neprilysin in complex with phosphoramidon

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)	1.072
Spacegroup name	P 21 21 21
Unit cell lengths	68.513, 107.446, 210.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.213 - 2.802
R-factor	0.1939
Rwork	0.192
R-free	0.22700
Structure solution method	AB INITIO PHASING
Starting model (for MR)	4xbh
RMSD bond length	0.004
RMSD bond angle	0.901
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.051	0.033	0.165
Total number of observations	84480
Number of reflections	33003
<I/σ(I)>	14.3
Completeness [%]	84.4	93.1	45.7
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	PEG 4000, magnesium chloride, sodium cacodylate; 1 hr soak in 0.2 mM phosphoramidon