9AWN

Crystal structure of trypsin at 250 Kelvin with benzamidine

Experimental procedure

Experimental method	LAUE
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	250
Detector technology	CMOS
Collection date	2023-11-07
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	53.884, 56.774, 66.223
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.494 - 1.484
Rwork	0.222
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.538
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]	23.494	23.490
High resolution limit [Å]	1.484	1.500
Number of reflections	32789	1670
<I/σ(I)>	8.96
Completeness [%]	95.6
Redundancy	10
CC(1/2)	0.822	0.822

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.