7ZXZ

dithiol-ligand bound to streptavidin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-02
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.999997
Spacegroup name	C 1 2 1
Unit cell lengths	81.324, 80.790, 46.657
Unit cell angles	90.00, 104.32, 90.00

Refinement procedure

Resolution	45.249 - 1.450
Rwork	0.180
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc3
RMSD bond length	0.012
RMSD bond angle	1.812
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0349)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.249	45.210	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.079	0.050	0.886
Rmeas	0.094	0.059	1.046
Rpim	0.050	0.031	0.553
Number of reflections	50291	331	2449
<I/σ(I)>	11.7
Completeness [%]	97.4
Redundancy	6.7	6.6	6.7
CC(1/2)	0.998	0.995	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1 M MIB, 25 % w/v PEG 1500