9AWS

Crystal structure of trypsin at 275 Kelvin with benzamidine (triplicate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	275
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	54.532, 58.820, 67.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.195 - 1.497
Rwork	0.252
R-free	0.28520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.604
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.195	24.180
High resolution limit [Å]	1.497	1.500
Number of reflections	34873	1625
<I/σ(I)>	4.78
Completeness [%]	97.2
Redundancy	10
CC(1/2)	0.714	0.714

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.