8IZH

Crystal structure of trypsin-aminoguanidine complex at 2.30 Angstroms resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-11
Detector	Bruker PHOTON II
Wavelength(s)	1.5406
Spacegroup name	P 21 21 21
Unit cell lengths	54.590, 58.248, 66.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.640 - 2.300
R-factor	0.21625
Rwork	0.212
R-free	0.29484
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ce5
RMSD bond length	0.008
RMSD bond angle	1.518
Data reduction software	PROTEUM PLUS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.630	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	9854	953
<I/σ(I)>	7
Completeness [%]	99.8
Redundancy	7.3
CC(1/2)	0.940	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	0.1-0.4 M Li2SO4, 16% PEG-3350 and 0.1 M HEPES at pH of 7.8