8YI2

Crystal structure of a BAHD acyltransferase Ep07g04469

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 21 1
Unit cell lengths	117.463, 65.885, 129.853
Unit cell angles	90.00, 111.42, 90.00

Refinement procedure

Resolution	58.480 - 2.830
R-factor	0.2398
Rwork	0.237
R-free	0.29240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.500
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]	109.350	2.990
High resolution limit [Å]	2.830	2.830
Rmerge	0.092	0.629
Number of reflections	42654
<I/σ(I)>	13.1
Completeness [%]	95.9
Redundancy	5.7

Crystallization Conditions

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