9RT1

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

This is a non-PDB format compatible entry.

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	2024-08-06
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.94054
Spacegroup name	P 21 21 21
Unit cell lengths	43.040, 57.700, 113.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.440 - 1.790
R-factor	0.2174
Rwork	0.215
R-free	0.26150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.741
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]	51.440	1.820
High resolution limit [Å]	1.790	1.790
Rmerge	0.164	2.943
Rmeas	0.171	3.090
Rpim	0.050	0.968
Number of reflections	26502	1137
<I/σ(I)>	8.3	0.7
Completeness [%]	96.7	85.4
Redundancy	11	9.1
CC(1/2)	0.998	0.168

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	9.5	295.15	Under anaerobic condition. 25-27% PEG3350, 0.1 M CHES pH9.5. 30 mM (1R,2R)-1-amino-2-ethylcyclopropanecarboxylic acid, 3 mM ammonium iron (II) sulphate hexahydrate. Microseeding.