9RT0

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	2024-05-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.783380
Spacegroup name	P 21 21 21
Unit cell lengths	43.381, 57.813, 113.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.570 - 1.800
R-factor	0.1974
Rwork	0.196
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.865
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.600	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.143	1.482
Rmeas	0.149	1.545
Rpim	0.058	0.429
Number of reflections	27356	1558
<I/σ(I)>	9.5	1.6
Completeness [%]	99.9	100
Redundancy	12.1
CC(1/2)	0.998	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	9.5	295.15	Anaerobic condition. 25-28% PEG3350, 0.1 M CHES pH9.5. 3 mM ammonium iron (II) hexahydrate, 30 mM 1-aminocyclobutane-1-carboxylic acid. Microseeding.