9AW4

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

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	2023-11-01
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	54.490, 58.282, 66.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.989 - 1.499
Rwork	0.190
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.703
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]	23.989	23.970
High resolution limit [Å]	1.499	1.500
Number of reflections	34353	2331
<I/σ(I)>	19.03
Completeness [%]	98.9
Redundancy	10
CC(1/2)	0.813	0.813

Crystallization Conditions

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