9PUB

Biotin-streptavidin binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9600
Spacegroup name	I 2 2 2
Unit cell lengths	46.688, 94.415, 105.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.886 - 0.953
Rwork	0.131
R-free	0.14540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.980
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.940	0.970
High resolution limit [Å]	0.950	0.950
Rmerge	0.067	3.066
Rmeas	0.067	3.156
Rpim	0.010	0.718
Total number of observations	4926376	102593
Number of reflections	140605	5670
<I/σ(I)>	31.7	0.8
Completeness [%]	96.8
Redundancy	35	18.1
CC(1/2)	1.000	0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	294	1 micro-liter protein containing 3 mM Biotin in 10 mM Tris-HCl pH 7.0 mixed with 1 micro-liter 38% Ammonium Sulfate, 100 mM Na-Acetate pH 4.5, 200 mM NaCl at 21C (294 K)