3E0P

The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-28
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	52.484, 54.240, 83.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.1792
Rwork	0.177
R-free	0.22390
Structure solution method	FOURIER SYNTHESIS
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.101	0.579
Number of reflections	26861
<I/σ(I)>	18.04	1.87
Completeness [%]	99.7	100
Redundancy	4.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	28% PEGME-5000 buffered with 0.1M Mes, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K