8YI1

Crystal structure of a BAHD acyltransferase Ep07g04462

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9791
Spacegroup name	P 1
Unit cell lengths	57.274, 89.635, 99.062
Unit cell angles	70.87, 89.61, 89.69

Refinement procedure

Resolution	32.990 - 2.400
R-factor	0.2335
Rwork	0.232
R-free	0.28430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.270	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.093	0.536
Number of reflections	71193
<I/σ(I)>	8
Completeness [%]	97.5
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2 M sodium malonate pH 4.0, 20% (w/v) polyethylene glycol 3,350