9AWG

Crystal structure of trypsin at 200 Kelvin with benzamidine (duplicate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	200
Detector technology	CMOS
Collection date	2023-11-05
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	53.611, 56.852, 66.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.257 - 1.493
Rwork	0.222
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.706
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]	24.257	24.230
High resolution limit [Å]	1.493	1.500
Number of reflections	32326	1617
<I/σ(I)>	8.68
Completeness [%]	96.5
Redundancy	10
CC(1/2)	0.842	0.842

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.