9CSV

Streptavidin-E101Q-S112Y-K121A bound to Cu(II)-biotin-ethyl-dipicolylamine cofactor, oxidized by hydrogen peroxide

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)	0.9999
Spacegroup name	I 41 2 2
Unit cell lengths	57.550, 57.550, 177.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.380 - 1.600
R-factor	0.2074
Rwork	0.206
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.947
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.380	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.096	1.151
Rmeas	0.104	1.246
Rpim	0.037	0.467
Number of reflections	20125	1984
<I/σ(I)>	9	1.42
Completeness [%]	99.1
Redundancy	6.7
CC(1/2)	0.997	0.561

Crystallization Conditions

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