6S4Q

scdSav(SASK) - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-06
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	184.219, 57.201, 57.201
Unit cell angles	90.00, 108.09, 90.00

Refinement procedure

Resolution	43.820 - 1.850
Rwork	0.195
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pk2
RMSD bond length	0.011
RMSD bond angle	2.945
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.820	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.102	1.097
Number of reflections	54365	2942
<I/σ(I)>	8	1.2
Completeness [%]	100.0	99.9
Redundancy	3.3	3.4
CC(1/2)	0.997	0.431

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	2 M (NH4)2SO4, 0.1 M Na-Acetate, pH 4