8CRP

Streptavidin WT Co-TAML artificial metalloenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99988
Spacegroup name	C 1 2 1
Unit cell lengths	192.499, 57.701, 57.701
Unit cell angles	90.00, 107.44, 90.00

Refinement procedure

Resolution	45.954 - 2.000
Rwork	0.202
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.741
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.954	45.910	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.097	0.044	1.377
Rmeas	0.115	0.051	1.624
Rpim	0.060	0.026	0.852
Number of reflections	40202	3344	20880
<I/σ(I)>	10.3
Completeness [%]	98.2
Redundancy	6.9	6.7	7
CC(1/2)	0.998	0.997	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	2 M ammonium sulfate, 0.1 M sodium acetate pH 4.0 for soaking pH adjustment to pH 6.0