7BRV

Bovine Pancreatic Trypsin with 4-Bromobenzamidine (Room Temperature)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	293
Detector technology	CCD
Collection date	2019-05-09
Detector	RAYONIX MX225-HS
Wavelength(s)	0.918
Spacegroup name	P 21 21 21
Unit cell lengths	54.980, 58.770, 68.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.470 - 1.550
R-factor	0.1557
Rwork	0.155
R-free	0.17190
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]	44.470	44.470	1.640
High resolution limit [Å]	1.550	4.650	1.550
Rmerge	0.169	0.059	1.916
Rmeas	0.187	0.064	2.129
Total number of observations	334521
Number of reflections	61294	2258	9504
<I/σ(I)>	10.13	27.41	1.86
Completeness [%]	99.2	98.5	99.2
Redundancy	5.458	5.748	5.233
CC(1/2)	0.995	0.996	0.315

Crystallization Conditions

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