9AVZ

Crystal structure of trypsin at 100 Kelvin with benzamidine (triplicate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	100
Detector technology	CMOS
Collection date	2023-11-01
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	54.095, 58.074, 66.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.531 - 1.499
Rwork	0.206
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.719
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]	24.531	24.420
High resolution limit [Å]	1.499	1.500
Number of reflections	31751	1582
<I/σ(I)>	16.57
Completeness [%]	92.5
Redundancy	10
CC(1/2)	0.745	0.745

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.