6T31

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	2018-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	C 2 2 21
Unit cell lengths	57.377, 85.361, 100.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.020 - 1.350
R-factor	0.1392
Rwork	0.138
R-free	0.16540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6t1e
RMSD bond length	0.008
RMSD bond angle	1.092
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]	43.020	1.397
High resolution limit [Å]	1.349	1.349
Number of reflections	54426	5353
<I/σ(I)>	14.8
Completeness [%]	99.9
Redundancy	7.4
CC(1/2)	0.999	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	CHES 0.1 M pH 9.5, 30% PEG 3000