9AW1

Crystal structure of trypsin at 125 Kelvin with benzamidine

Experimental procedure

Experimental method	LAUE
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	125
Detector technology	CMOS
Collection date	2023-11-02
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	54.517, 58.296, 66.716
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.700 - 1.500
Rwork	0.154
R-free	0.18480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.664
Data reduction software	SAINT
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.700	24.700
High resolution limit [Å]	1.500	1.500
Number of reflections	34687	1753
<I/σ(I)>	9.35
Completeness [%]	99.3
Redundancy	10
CC(1/2)	0.659	0.659

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.