8HNR

Molecular structure of Kunitz-type trypsin inhibitor from seeds of Albizia procera

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9724
Spacegroup name	C 1 2 1
Unit cell lengths	120.627, 34.967, 42.703
Unit cell angles	90.00, 104.74, 90.00

Refinement procedure

Resolution	41.300 - 1.420
R-factor	0.1629
Rwork	0.162
R-free	0.18480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.895
Data reduction software	XDS (1.12)
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.300	1.472
High resolution limit [Å]	1.420	1.422
Number of reflections	32197	3119
<I/σ(I)>	14.17
Completeness [%]	98.3
Redundancy	6.8
CC(1/2)	0.999	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M MES monohydrate (pH: 6.0), PEG 400 (25%)