9RT5

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	2024-11-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.94056
Spacegroup name	P 21 21 21
Unit cell lengths	43.180, 57.605, 112.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.340 - 1.400
R-factor	0.2028
Rwork	0.202
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.903
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.600	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.107	4.194
Rmeas	0.112	4.384
Rpim	0.030	1.193
Number of reflections	55684	2688
<I/σ(I)>	9.7	0.3
Completeness [%]	98.7	96.6
Redundancy	13.6	13.2
CC(1/2)	0.999	0.206

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	9.5	295.15	Under anaerobic condition. 25-28% PEG 3350, 0.1 M CHES pH 9.5, 3 mM ammonium iron (II) sulphate hexahydrate, 20 mM 1-amonocyclopropanecarboxylic acid. Microseeding was carried out. The crystals were soaked with 500 mM ascorbate in the well solution for 7 hours.