7BS8

Bovine Pancreatic Trypsin with Benzamidine (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	54.106, 57.068, 66.168
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.260 - 1.370
R-factor	0.1642
Rwork	0.163
R-free	0.18120
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]	39.260	39.260	1.460
High resolution limit [Å]	1.370	4.100	1.370
Rmerge	0.037	0.026	0.633
Rmeas	0.040	0.028	0.681
Total number of observations	619767
Number of reflections	81705	3072	13018
<I/σ(I)>	31.2	62.03	3.19
Completeness [%]	99.1	99.5	97.7
Redundancy	7.585	7.742	7.43
CC(1/2)	1.000	0.999	0.933

Crystallization Conditions

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