8QQ3

Streptavidin with a Ni-cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	115.028, 88.712, 57.790
Unit cell angles	90.00, 97.13, 90.00

Refinement procedure

Resolution	46.130 - 1.600
R-factor	0.163
Rwork	0.162
R-free	0.19060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.215
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.130	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.067	1.236
Rmeas	0.072	1.335
Rpim	0.027	0.499
Number of reflections	75827	7553
<I/σ(I)>	14.5	1.1
Completeness [%]	99.8
Redundancy	6.9
CC(1/2)	0.999	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium acetate, 0.1 M Tris, pH 8.5, 30% w/v PEG 4K