5F8T

The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2

Replaces:  4ZJ5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-15
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	90.153, 90.153, 57.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.750
R-factor	0.231
Rwork	0.231
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2any
RMSD bond length	0.006
RMSD bond angle	1.197
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.750	1.750
Number of reflections	27101
<I/σ(I)>	15.2
Completeness [%]	99.9
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG 3350, 0.1M Hepes, pH 7.5, 20mM (NH4)2SO4