8ASR

The Crystal structure of F46Y mutant of apo agroavidin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID09
Synchrotron site	ESRF
Beamline	ID09
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.0723
Spacegroup name	P 21 21 2
Unit cell lengths	83.322, 84.781, 67.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.760 - 1.660
R-factor	0.18033
Rwork	0.179
R-free	0.21467
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ew1
RMSD bond length	0.011
RMSD bond angle	1.693
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.760	1.720
High resolution limit [Å]	1.660	1.660
Rmerge		0.778
Number of reflections	53732	5477
<I/σ(I)>	15.5
Completeness [%]	98.6
Redundancy	4.3
CC(1/2)	0.990	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	18% pentaerythritol ethoxylate, 0.05 M Bis Tris pH 5.9-6.0, 0.05 M ammonium sulphate