5TJX

Structure of human plasma kallikrein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11
Spacegroup name	P 21 21 21
Unit cell lengths	55.660, 59.620, 77.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.805 - 1.408
R-factor	0.1634
Rwork	0.163
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2any
RMSD bond length	0.006
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.458
High resolution limit [Å]	1.408	1.408
Rmerge	0.030	0.213
Number of reflections	48771
<I/σ(I)>	13.26	3.48
Completeness [%]	96.8	94.82
Redundancy	1.9	1.9
CC(1/2)		0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.2 M potassium di-hydrogen phosphate, 21 % PEG 3350