6SOS

Engineered streptavidin variant (ENAGY) in complex with the Twin-Strep-tag peptide

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	2015-02-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91801
Spacegroup name	P 41 21 2
Unit cell lengths	101.769, 101.769, 118.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.250 - 2.200
R-factor	0.2137
Rwork	0.212
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qbb
RMSD bond length	0.007
RMSD bond angle	1.502
Data reduction software	MOSFLM (7.2.1)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.250	77.249	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.046	0.322
Rmeas	0.102	0.049	0.337
Rpim	0.030	0.016	0.098
Total number of observations		11511	54540
Number of reflections	32346	1171	4633
<I/σ(I)>	16.9	26.5	6.9
Completeness [%]	100.0	99.9	100
Redundancy	11.2	9.8	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	ammonium sulfate, sodium acetate