8ZEV

Crystal structure of the dehydratase domain of human fatty acid synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 32 2 1
Unit cell lengths	108.130, 108.130, 221.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.210 - 1.800
R-factor	0.2083
Rwork	0.207
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.252
Data reduction software	DENZO
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.390	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.084	1.594
Rmeas	0.086	1.640
Rpim	0.019	0.385
Total number of observations	2760557	183066
Number of reflections	139108	10137
<I/σ(I)>	20.4	2.1
Completeness [%]	100.0
Redundancy	19.8	18.1
CC(1/2)	0.999	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20 mM Imidazole, pH 6.5, 10 mM Sodium Iodide, and 25% PEG4000