9AW2

Crystal structure of trypsin at 125 Kelvin with benzamidine (duplicate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	54.282, 58.206, 66.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.940 - 1.498
Rwork	0.185
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.720
Data reduction software	SAINT
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.940	23.930
High resolution limit [Å]	1.498	1.500
Number of reflections	34191	1705
<I/σ(I)>	15.39
Completeness [%]	98.9
Redundancy	10
CC(1/2)	0.837	0.837

Crystallization Conditions

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