8RPK

AMP-forming Acetyl-CoA synthetase from Chloroflexota bacterium without bound ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	H 3 2
Unit cell lengths	161.352, 161.352, 814.182
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	272.000 - 2.615
Rwork	0.163
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.872
Data reduction software	XDS (20230630)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	272.000	2.820
High resolution limit [Å]	2.615	2.620
Rmerge	0.119	1.952
Rmeas	0.122	2.002
Rpim	0.027	0.445
Number of reflections	100973	5050
<I/σ(I)>	19.1	1.7
Completeness [%]	81.5	20.4
Redundancy	2.6	20
CC(1/2)	0.999	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	HEPES