6QW4

Engineered streptavidin variant (ACGR) in complex with the Strep-tag II peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	I 41 2 2
Unit cell lengths	57.160, 57.160, 175.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.720 - 2.100
R-factor	0.2018
Rwork	0.200
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rst
RMSD bond length	0.013
RMSD bond angle	1.621
Data reduction software	MOSFLM (7.0.9)
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.337	36.696	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.035	0.360
Rmeas	0.123	0.037	0.379
Rpim	0.039	0.012	0.117
Number of reflections	8934	344	1261
<I/σ(I)>	14.2	13.8	2
Completeness [%]	100.0	99.4	100
Redundancy	10	8.3	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	lithium sulfate, 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid