5FAH

KALLIKREIN-7 IN COMPLEX WITH COMPOUND1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-23
Detector	MARRESEARCH
Wavelength(s)	0.97991
Spacegroup name	P 21 21 21
Unit cell lengths	42.611, 60.343, 80.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.290 - 1.100
R-factor	0.1884
Rwork	0.188
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1spj
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.290	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.087	0.334
Number of reflections	65233
<I/σ(I)>	34.7	2.2
Completeness [%]	96.0	73.9
Redundancy	3.8	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.5 microlitre Protein solution were mixed with 0.5 microlitre RESERVOIR solution. PROTEIN SOLUTION: 24.6 MG/ML KALLIKREIN 7, 50 MM SODIUM ACETATE PH 5.6, 100 MM NACL, 2 MM INHIBITOR, 1.8% DMSO, RESERVOIR SOLUTION: 35% PEG 3350, 100 MM SODIUM ACETATE PH 4.8, 200 MM CALCIUM CHLORIDE. CRYO: FLASH FREEZING IN LIQUID NITROGEN WITHOUT ADDITIONAL CRYO SOLUTION.