9AWQ

Crystal structure of trypsin at 275 Kelvin with benzamidine

Experimental procedure

Experimental method	LAUE
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	275
Detector technology	PIXEL
Collection date	2023-11-08
Detector	Bruker PHOTON II
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	54.440, 57.339, 67.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.800 - 1.491
Rwork	0.226
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.467
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]	21.800	21.800
High resolution limit [Å]	1.491	1.500
Number of reflections	33357	1669
<I/σ(I)>	13.8
Completeness [%]	95.5
Redundancy	10
CC(1/2)	0.804	0.804

Crystallization Conditions

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