1LO6

Human Kallikrein 6 (hK6) active form with benzamidine inhibitor at 1.56 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	2001-10-24
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	39.207, 61.814, 85.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.970 - 1.560
R-factor	0.197
Rwork	0.196
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l2e
RMSD bond length	0.007
RMSD bond angle	1.517
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.970	1.600
High resolution limit [Å]	1.560	1.560
Rmerge	0.077	0.466
Number of reflections	28869
<I/σ(I)>	37.5	4.3
Completeness [%]	95.3	89.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277.15	30% (W/V) PEG 4000, 0.2M Magnesium chloride hexahydrate, 0.1M Tris hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
1	VAPOR DIFFUSION, HANGING DROP	8.5	277.15	30% (W/V) PEG 4000, 0.2M Magnesium chloride hexahydrate, 0.1M Tris hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K