6ZFK

Trypsin inhibitor in complex with bovine trypsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	54.466, 58.213, 66.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.940 - 1.100
R-factor	0.1259
Rwork	0.125
R-free	0.13820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mnk
RMSD bond length	0.006
RMSD bond angle	0.934
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.170
High resolution limit [Å]	1.100	1.100
Number of reflections	84897	12117
<I/σ(I)>	14.6
Completeness [%]	97.5
Redundancy	5.1
CC(1/2)	0.990	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	ammonium sulfat PEG8000 ethylene glycol HEPES