8AST

The Crystal structure of short F46Y agroavidin - apo

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	2018-11-23
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.0723
Spacegroup name	P 21 21 2
Unit cell lengths	82.626, 84.660, 68.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.550 - 1.550
R-factor	0.20516
Rwork	0.203
R-free	0.23779
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8asr
RMSD bond length	0.012
RMSD bond angle	1.741
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]	52.560	1.590
High resolution limit [Å]	1.550	1.550
Number of reflections	66081	4765
<I/σ(I)>	8.6	1.2
Completeness [%]	94.7
Redundancy	4.7
CC(1/2)	0.993	0.469

Crystallization Conditions

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