7AL8

Structure of ATSI with bovine trypsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-24
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9791
Spacegroup name	P 1
Unit cell lengths	57.289, 92.588, 108.545
Unit cell angles	90.04, 89.86, 90.03

Refinement procedure

Resolution	46.840 - 2.850
R-factor	0.2772
Rwork	0.274
R-free	0.33050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aq7
Data reduction software	SCALA
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.840	2.990
High resolution limit [Å]	2.840	2.840
Rmerge	0.111	0.470
Rpim	0.101	0.420
Number of reflections	50831	6984
<I/σ(I)>	4.4
Completeness [%]	96.6
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	2M AmSO4, 0.1 M HEPES 7.5; 2% PEG400