6T1G

Streptavidin variants harbouring an artificial organocatalyst based cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 2 2
Unit cell lengths	55.226, 55.226, 168.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.190 - 1.900
R-factor	0.2065
Rwork	0.204
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wildtype streptavidin with artificial cofactor
RMSD bond length	0.013
RMSD bond angle	1.771
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.190	1.966
High resolution limit [Å]	1.900	1.900
Number of reflections	21439	2055
<I/σ(I)>	10.16
Completeness [%]	99.4
Redundancy	14.1
CC(1/2)	0.999	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Na-citrate 0.1 M pH 5.5, 40% PEG 600