9AWL

Crystal structure of trypsin at 225 Kelvin with benzamidine (duplicate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	54.005, 57.109, 66.509
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.423 - 1.500
Rwork	0.264
R-free	0.30080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.649
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]	24.423	24.420
High resolution limit [Å]	1.500	1.500
Number of reflections	31374	1566
<I/σ(I)>	5.6
Completeness [%]	93.2
Redundancy	10
CC(1/2)	0.703	0.703

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.