6FJ4

Structure of FAE solved by SAD from data collected at the peak of the Selenium absorption edge on ID30B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	112.023, 112.023, 65.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.210 - 1.700
R-factor	0.16118
Rwork	0.160
R-free	0.17786
Structure solution method	SAD
RMSD bond length	0.020
RMSD bond angle	1.695
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.210	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.057	1.390
Rmeas	0.091	1.830
Rpim	0.041	0.840
Number of reflections	46013	2462
<I/σ(I)>	11.2	0.9
Completeness [%]	96.3	96.1
Redundancy	2.4	2.3
CC(1/2)	0.997	0.318

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES, 50 mM CdSO4, 5% (v/v) glycerol, and 1 M Na-acetate