9TV9

Designed variant of HigB2-HigA2 tetrameter in the bent conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978565
Spacegroup name	C 1 2 1
Unit cell lengths	112.070, 73.700, 77.840
Unit cell angles	90.00, 131.68, 90.00

Refinement procedure

Resolution	41.851 - 2.000
R-factor	0.2157
Rwork	0.213
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.713
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.260	2.120
High resolution limit [Å]	2.000	2.000
Rmeas	0.127	1.289
Number of reflections	31631	5017
<I/σ(I)>	9.39
Completeness [%]	98.0	97.2
Redundancy	7.1	7.2
CC(1/2)	0.998	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M ammonium nitrate, 20 % PEG 3350