8OJW

Streptavidin WT artificial metalloenzyme for carboamination

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	2020-08-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000305674358714
Spacegroup name	I 41 2 2
Unit cell lengths	57.820, 57.820, 184.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.158 - 1.484
Rwork	0.179
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.004
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.158	46.120	1.510
High resolution limit [Å]	1.480	8.130	1.480
Rmerge	0.117	0.084	1.589
Rmeas	0.123	0.088	1.716
Rpim	0.038	0.026	0.637
Number of reflections	26459	3429	16908
<I/σ(I)>	14.2
Completeness [%]	99.9
Redundancy	19.3	16.1	13.5
CC(1/2)	0.998	0.998	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	2.0 M ammonium sulfate 0.1 M sodium acetate -> soaking experiment by pH adjustment to pH 6.0