6VLY

Crystal structure of FabI-NADH complex from Alistipes finegoldii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 21 21 21
Unit cell lengths	75.313, 111.537, 150.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.090 - 1.860
R-factor	0.1602
Rwork	0.158
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vlx
RMSD bond length	0.010
RMSD bond angle	1.463
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.090	1.910
High resolution limit [Å]	1.860	1.860
Number of reflections	512333	34973
<I/σ(I)>	12.6	1.7
Completeness [%]	98.7	94.1
Redundancy	4.9	4.7
CC(1/2)	0.997	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	Crystallization: 12.5% PEG 1000, 200 mM NaCl, 100 mM MES pH 6.0, Cryo: 12.5% PEG 1000, 200 mM NaCl, 100 mM MES pH 6.0, 25% glycerol