6GH7

WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.82001
Spacegroup name	P 1 21 1
Unit cell lengths	50.631, 98.495, 52.915
Unit cell angles	90.00, 112.67, 90.00

Refinement procedure

Resolution	49.300 - 1.080
R-factor	0.16029
Rwork	0.159
R-free	0.18482
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mk5
RMSD bond length	0.014
RMSD bond angle	1.904
Data reduction software	xia2
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.490	1.100
High resolution limit [Å]	1.080	1.080
Rmerge	0.075	0.479
Rpim	0.069	0.446
Number of reflections	198749
<I/σ(I)>	6.2	1.4
Completeness [%]	97.4
Redundancy	3.7
CC(1/2)		0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25 mg/mL protein in deionised water is mixed at equal volume with 51% MPD.