9AWU

Crystal structure of trypsin at 300 Kelvin with benzamidine

Experimental procedure

Experimental method	LAUE
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	300
Detector technology	PIXEL
Collection date	2023-11-08
Detector	Bruker PHOTON II
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	54.333, 57.390, 67.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.071 - 1.482
Rwork	0.202
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.584
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.071	23.070
High resolution limit [Å]	1.482	1.500
Number of reflections	34783	1754
<I/σ(I)>	7.82
Completeness [%]	97.4
Redundancy	10
CC(1/2)	0.716	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.4	298	0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.