8PU4

FaRel2 bound to the ATP analogue, APCPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	90
Detector technology	PIXEL
Collection date	2021-07-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	31.498, 60.581, 177.157
Unit cell angles	90.00, 90.59, 90.00

Refinement procedure

Resolution	59.050 - 2.620
R-factor	0.1972
Rwork	0.194
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.170
Refinement software	BUSTER (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.100	2.830
High resolution limit [Å]	2.620	2.620
Number of reflections	16326	818
<I/σ(I)>	7.3
Completeness [%]	90.9
Redundancy	13.5
CC(1/2)	0.985	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	12 % w/v PEG 2000, 50 mM MES pH 5.5