6TIP

Engineered streptavidin variant (YNAFM) in complex with the Strep-tag II 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 42 2 2
Unit cell lengths	57.560, 57.560, 181.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.630 - 2.100
R-factor	0.2009
Rwork	0.200
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qbb
RMSD bond length	0.009
RMSD bond angle	1.631
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.066	57.560	2.210
High resolution limit [Å]	1.897	6.640	2.100
Rmerge		0.217	0.338
Rmeas	0.165	0.234	0.361
Rpim	0.054	0.084	0.123
Total number of observations	173120	5928	22720
Number of reflections	18752	700	2674
<I/σ(I)>	8	10.6	4.5
Completeness [%]	99.8	98.6	99.9
Redundancy	9.2	8.5	8.5

Crystallization Conditions

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