7VO7

Crystal structure of trypsin in complex with Lima bean trypsin inhibitor at 2.25A resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-15
Detector	Bruker PHOTON II
Wavelength(s)	1.54
Spacegroup name	P 41
Unit cell lengths	54.009, 54.009, 179.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.910 - 2.250
R-factor	0.1837
Rwork	0.181
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sy3
RMSD bond length	0.002
RMSD bond angle	0.587
Data reduction software	PROTEUM PLUS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.980	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.169	0.781
Rmeas		0.238
Rpim	0.049
Number of reflections	24309	1180
<I/σ(I)>	21.6	3.7
Completeness [%]	99.8	100
Redundancy	13.6	12.2
CC(1/2)	0.990	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	0.1-0.4 M lithium sulfate, and 16% PEG-3350.