9AWI

Crystal structure of trypsin at 225 Kelvin with benzamidine

Experimental procedure

Experimental method	LAUE
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	225
Detector technology	CMOS
Collection date	2023-11-06
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	54.004, 57.170, 66.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.934 - 1.479
Rwork	0.204
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.552
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]	22.934	22.930
High resolution limit [Å]	1.479	1.500
Number of reflections	33953	1635
<I/σ(I)>	7.38
Completeness [%]	96.6
Redundancy	10
CC(1/2)	0.798	0.798

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.