9RSY

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	2024-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.94055
Spacegroup name	P 21 21 21
Unit cell lengths	43.267, 58.547, 112.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.270 - 1.420
R-factor	0.1665
Rwork	0.166
R-free	0.18590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.970
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]	58.550	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.083	1.502
Rmeas	0.086	1.558
Rpim	0.023	0.411
Number of reflections	54268	2612
<I/σ(I)>	14.6	0.7
Completeness [%]	99.0
Redundancy	13.6
CC(1/2)	1.000	0.761

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. microseeding. the Crystal was soaked with 500 mM ascorbate in mother liquor for 7 hours to overnight.