8RCZ

Structure of the enoyl-ACP reductase FabV from Pseudomonas aeruginosa with NADH cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873128
Spacegroup name	P 21 21 21
Unit cell lengths	54.744, 88.729, 158.172
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.010 - 2.250
R-factor	0.1994
Rwork	0.197
R-free	0.24210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.521
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.580	2.550
High resolution limit [Å]	2.250	2.450
Rmerge	0.172	0.748
Rmeas	0.315	0.803
Rpim	0.112	0.285
Total number of observations		21204
Number of reflections	70614	3115
<I/σ(I)>	8.9	3.7
Completeness [%]	96.1
Redundancy	7.2	6.8
CC(1/2)	0.957	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.7	293.15	0.5M lithium chloride, 0.1M Tris pH 8.7, 24% PEG 6000