9CSW

Streptavidin-E101Q-S112A-K121Y bound to Cu(II)-biotin-ethyl-dipicolylamine cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	I 41 2 2
Unit cell lengths	57.770, 57.770, 184.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.080 - 1.300
R-factor	0.1672
Rwork	0.166
R-free	0.18860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.054
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]	42.080	1.349
High resolution limit [Å]	1.300	1.300
Rmerge	0.646	3.806
Rmeas	0.654	3.847
Rpim	0.095	0.552
Number of reflections	38754	3812
<I/σ(I)>	62.91	1.26
Completeness [%]	99.3	99.08
Redundancy	47.5	48.2
CC(1/2)	0.957	0.607

Crystallization Conditions

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