9RZI

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	2025-05-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.94056
Spacegroup name	P 21 21 21
Unit cell lengths	43.590, 58.380, 114.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.900 - 1.450
R-factor	0.2006
Rwork	0.199
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.944
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.900	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.131	5.745
Rmeas	0.136	5.958
Rpim	0.037	1.567
Number of reflections	52213	2548
<I/σ(I)>	10.7	0.4
Completeness [%]	99.1	98.8
Redundancy	13.4	14
CC(1/2)	0.999	0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	9.5	295.15	Under anaerobic condition. 25-28% PEG3350, 0.1 M CHES pH 9.5, 3 mM ammonium iron (II) sulphate hexahydrate, 30 mM ACC. Microseeding was carried out. The crystal was soaked with nitric oxide saturated well solution for 30 min., and flash frozen in liquid nitrogen.