9EC5

Streptavidin-S112C-L124F bound to Cu(II)dpea cofactor, containing S-nitrosocysteine modification

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97741
Spacegroup name	I 41 2 2
Unit cell lengths	57.675, 57.675, 183.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.980 - 1.400
R-factor	0.1977
Rwork	0.196
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.085
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]	45.980	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.106	0.925
Rmeas		0.953
Rpim	0.024	0.224
Number of reflections	31164	3045
<I/σ(I)>	23.25	5.82
Completeness [%]	97.8
Redundancy	20.1
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	ammonium sulfate, sodium acetate