6SOK

Engineered streptavidin variant (VTAR) 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	2015-05-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 41 21 2
Unit cell lengths	101.340, 101.340, 118.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.970 - 1.960
R-factor	0.1531
Rwork	0.151
R-free	0.18380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qbb
RMSD bond length	0.018
RMSD bond angle	2.148
Data reduction software	MOSFLM (7.1.3)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.973	76.973	2.070
High resolution limit [Å]	1.960	6.200	1.960
Rmerge		0.025	0.281
Rmeas	0.069	0.027	0.295
Rpim	0.022	0.010	0.089
Number of reflections	44784	1602	6419
<I/σ(I)>	22.5	10.8	2.7
Completeness [%]	99.9	100	99.7
Redundancy	10	9.1	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	ammonium sulfate, sodium citrate-phosphate