7BSA

Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-10
Detector	RAYONIX MX225-HS
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.381, 58.572, 66.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 1.220
R-factor	0.1497
Rwork	0.149
R-free	0.16720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s0q
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.000	44.000	1.190
High resolution limit [Å]	1.120	3.350	1.120
Rmerge	0.086	0.030	0.937
Rmeas	0.093	0.032	1.051
Total number of observations	1059617
Number of reflections	146660	5912	16669
<I/σ(I)>	15.33	57.37	1.51
Completeness [%]	92.6	100	65.1
Redundancy	7.225	7.745	4.991
CC(1/2)	0.999	0.999	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG 3350