9AW0

Crystal structure of trypsin at 100 Kelvin with benzamidine (quadruplicate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	298
Detector technology	CMOS
Collection date	2023-11-01
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	54.318, 58.166, 66.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.621 - 1.498
Rwork	0.157
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.753
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]	24.621	24.610
High resolution limit [Å]	1.498	1.500
Number of reflections	34364	1710
<I/σ(I)>	20.28
Completeness [%]	99.4
Redundancy	10
CC(1/2)	0.874	0.874

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.