9AWZ

Crystal structure of trypsin at 300 Kelvin with benzamidine (triplicate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	300
Detector technology	PIXEL
Collection date	2023-11-09
Detector	Bruker PHOTON II
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	54.327, 57.396, 67.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.078 - 1.488
Rwork	0.186
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.786
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]	23.120	23.120
High resolution limit [Å]	1.488	1.500
Number of reflections	34788	1760
<I/σ(I)>	7.124
Completeness [%]	98.6
Redundancy	10
CC(1/2)	0.684	0.684

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.