8ASS

The Crystal structure of F46Y mutant of the agroavidin-biotin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-23
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.972
Spacegroup name	P 21 21 2
Unit cell lengths	80.138, 82.823, 67.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.800 - 2.120
R-factor	0.24031
Rwork	0.237
R-free	0.31932
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8an6
RMSD bond length	0.008
RMSD bond angle	1.632
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.800	2.190
High resolution limit [Å]	2.120	2.120
Rmerge	0.109	0.977
Number of reflections	24821	2348
<I/σ(I)>	7.3
Completeness [%]	95.5
Redundancy	4.2
CC(1/2)	0.997	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bis Tris pH 5.8 20% PEG 3350