38OD

Crystal structure of a formate acetyltransferase (PFL) from Amygdalobacter indicium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-08-01
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 32 2 1
Unit cell lengths	102.324, 102.324, 228.178
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.680 - 2.290
R-factor	0.1905
Rwork	0.188
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.670
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.2.1_6174: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.970	2.350
High resolution limit [Å]	2.290	2.290
Rmerge	0.124	2.250
Rmeas	0.127	2.309
Rpim	0.028	0.514
Total number of observations	1256108	87685
Number of reflections	63210	4383
<I/σ(I)>	16.6	1.6
Completeness [%]	100.0
Redundancy	19.9	20
CC(1/2)	0.999	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Morpheus D9: 20%(v/v) PEG 500 MME, 10%(w/v) PEG 20000, 100 mM Tris/BICINE, pH 8.5, 20 mM 1,6-Hexanediol, 20 mM 1-Butanol, 20 mM 1,2-Propanediol, 20 mM 2-Propanol, 20 mM 1,4-Butanediol and 20 mM 1,3-Propanediol, AminA.20507.a.A1.PW39584 at 25.1 mg/mL. plate 21328 D9 drop 1, Puck: PSL-0915, Cryo: direct