6S50

scdSav(SARK)mv2 - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes

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	2018-09-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	183.879, 57.771, 57.645
Unit cell angles	90.00, 108.33, 90.00

Refinement procedure

Resolution	40.990 - 2.000
R-factor	0.1863
Rwork	0.185
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pk2
RMSD bond length	0.014
RMSD bond angle	2.194
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.990	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.068	0.379
Number of reflections	38602	3856
<I/σ(I)>	9.8	2.49
Completeness [%]	99.9	99.79
Redundancy	3.3	2.9
CC(1/2)	0.996	0.780

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