7FIA

Structure of AcrIF23

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	65.569, 65.569, 95.053
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.780 - 2.130
R-factor	0.2065
Rwork	0.205
R-free	0.23130
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	AutoSol
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.210
High resolution limit [Å]	2.130	2.130
Rmerge	0.104	0.702
Number of reflections	12158	1180
<I/σ(I)>	34.8
Completeness [%]	99.9
Redundancy	24.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	Sodium fluoride