9N7Y

BioSAS-TEVp (C151A, core) bound to TEV protease cleavage peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	157.446, 157.446, 87.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.020 - 3.080
R-factor	0.2052
Rwork	0.203
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.527
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.020	3.290
High resolution limit [Å]	3.080	3.080
Rmerge	0.380	2.095
Rmeas	0.407	2.250
Rpim	0.142	0.807
Total number of observations	167335	28219
Number of reflections	21019	3740
<I/σ(I)>	5.4	1.1
Completeness [%]	100.0
Redundancy	8	7.5
CC(1/2)	0.985	0.307

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.6 M Sodium citrate tribasic dihydrate pH 6.5