9E6Z

Streptavidin-E101Q-S112F-K121A bound to Cu(II)-biotin-ethyl-dipicolylamine cofactor

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	2022-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	I 41 2 2
Unit cell lengths	57.536, 57.536, 176.282
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.110 - 1.700
R-factor	0.202
Rwork	0.201
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.339
Data reduction software	XDS (1.20.1_4487)
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]	41.110	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.238	2.023
Rmeas	0.247	2.097
Rpim	0.065	0.548
Number of reflections	16842	1647
<I/σ(I)>	8.98	1.33
Completeness [%]	99.9	100
Redundancy	14.1
CC(1/2)	0.996	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	296	ammonium sulfate, sodium acetate