8RTM

Af Aio C65F-C80G bound to Sb oxyanion

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	2017-12-12
Detector	DECTRIS EIGER2 X 1M
Wavelength(s)	0.9737
Spacegroup name	P 1
Unit cell lengths	90.254, 109.123, 116.997
Unit cell angles	82.33, 89.68, 83.69

Refinement procedure

Resolution	48.940 - 1.870
R-factor	0.18083
Rwork	0.179
R-free	0.21385
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.111
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	116.060	5.050
High resolution limit [Å]	1.870	1.890
Number of reflections	359979	16372
<I/σ(I)>	6.1
Completeness [%]	96.9
Redundancy	3.4
CC(1/2)	0.970	0.504

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		273	PEG 4000