9CSU

Streptavidin-E101Q-S112Y-K121A bound to Cu(II)-biotin-ethyl-dipicolylamine cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	I 41 2 2
Unit cell lengths	57.700, 57.700, 178.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.720 - 1.600
R-factor	0.1769
Rwork	0.175
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.774
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.720	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.709	4.619
Rmeas	0.718	4.685
Rpim	0.112	0.768
Number of reflections	20131	1966
<I/σ(I)>	13.47	0.91
Completeness [%]	99.5	97.31
Redundancy	36.9	37.1
CC(1/2)	0.968	0.309

Crystallization Conditions

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