8FIT

Multi-state design of two-state switchable hinge proteins

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-04-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	44.117, 45.369, 61.803
Unit cell angles	109.27, 94.54, 104.09

Refinement procedure

Resolution	57.450 - 2.750
R-factor	0.2475
Rwork	0.245
R-free	0.29580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.419
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.450	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.077	0.428
Rpim	0.064	0.369
Number of reflections	20087	1563
<I/σ(I)>	7.58	0.57
Completeness [%]	89.4	90.08
Redundancy	2.2	2.3
CC(1/2)	0.986	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Calcium acetate, 0.1 M Na cacodylate pH 6.5, 40% PEG 300