1P57

Extracellular domain of human hepsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	2002-10-09
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	58.800, 47.800, 63.100
Unit cell angles	90.00, 104.80, 90.00

Refinement procedure

Resolution	7.000 * - 1.750
R-factor	0.186
Rwork	0.186
R-free	0.20500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ekb
RMSD bond length	0.018 *
RMSD bond angle	3.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.700	1.830
High resolution limit [Å]	1.750	1.750
Rmerge	0.040	0.261
Total number of observations	93729 *
Number of reflections	31195 *
<I/σ(I)>	12.4	1.7
Completeness [%]	96.1 *	53.3 *
Redundancy	3.82	2.11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.6 *	17 *	ammonium fluoride, PEG 3350, sodium cacodylate, tris, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 7.5, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium fluoride	0.2 (M)
2	1	reservoir	PEG3350	20-25 (%)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH6.2
4	1	drop	protein	10 (mg/ml)
5	1	drop	inhibitor	0.6 (mM)
6	1	drop	Tris-HCl	50 (mM)	pH7.6