9AVY

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

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	54.317, 58.131, 66.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.618 - 1.497
Rwork	0.158
R-free	0.18850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.864
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]	24.618	24.600
High resolution limit [Å]	1.497	1.500
Number of reflections	33365	1664
<I/σ(I)>	22.61
Completeness [%]	96.2
Redundancy	10
CC(1/2)	0.818	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.4	298	0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.