5YJK

Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-01-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	59.286, 86.576, 89.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.930 - 2.400
R-factor	0.20702
Rwork	0.205
R-free	0.24243
RMSD bond length	0.015
RMSD bond angle	1.887
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall
Low resolution limit [Å]	62.078
High resolution limit [Å]	2.400
Number of reflections	8171
<I/σ(I)>	11.7
Completeness [%]	87.6
Redundancy	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG1000, PEG3350, 2-methyl-2,4-pentanediol, sodium nitrate, sodium hydrogen phosphate, ammonium sulfate, bicine/trizma buffer