9AWO

Crystal structure of trypsin at 250 Kelvin with benzamidine (duplicate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	53.824, 56.986, 66.449
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.926 - 1.497
Rwork	0.181
R-free	0.20580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.750
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]	26.926	26.910
High resolution limit [Å]	1.497	1.500
Number of reflections	33256	1650
<I/σ(I)>	3.18
Completeness [%]	98.8
Redundancy	10
CC(1/2)	0.622	0.622

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.