6XYK

Crystal structure of bovine trypsin at room temperature.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	295
Detector technology	PIXEL
Collection date	2019-05-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.6
Spacegroup name	P 21 21 21
Unit cell lengths	54.830, 58.580, 67.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.290 - 1.500
R-factor	0.14512746475
Rwork	0.144
R-free	0.16344
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ih8
RMSD bond length	0.005
RMSD bond angle	0.800
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.290	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	35707	2587
<I/σ(I)>	20.41
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.998	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% PEG8000, 50 mM HEPES pH 7.0, 0.2 M Ammonium sulfate, 3 mM CaCl2and 6 mg/ml benzamidine