9RWO

Crystal structure of Amborella trichopoda ACCO2 in complex with Fe and ACC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.94054
Spacegroup name	P 21 21 21
Unit cell lengths	43.278, 58.777, 112.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.680 - 1.650
R-factor	0.1776
Rwork	0.176
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.109
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.100	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.100	1.092
Rmeas	0.105	1.146
Rpim	0.031	0.343
Number of reflections	35463	1740
<I/σ(I)>	11	1.7
Completeness [%]	100.0	100
Redundancy	10.7	10.7
CC(1/2)	0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	298	20 mM Xylitol, 20 mM Myo-Inositol, 20 mM D-(-)Fructose, 20 mM L-Rhamnose monohydrate, 20 uM D-Sorbitol; 100 mM BES, Triethanolamine (TEA), pH 7.5; 31% w/v Percipitant Mix 8 (10% w/v PEG 20000, 50% w/v Trimethylpropane, 2% w/v NDSB 195)