9SBE

Crystal structure of Amborella trichopoda ACCO2 mutant - Y163F 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	2024-08-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.7838
Spacegroup name	P 21 21 21
Unit cell lengths	43.078, 56.257, 113.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.340 - 1.750
R-factor	0.1855
Rwork	0.185
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.825
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.080	1.780
High resolution limit [Å]	1.610	1.750
Number of reflections	28739	1572
<I/σ(I)>	16.7
Completeness [%]	99.9
Redundancy	13.7
CC(1/2)	1.000	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	298	0.09 M Halogens (0.3M Magnesium chloride hexahydrate; 0.3M calcium chloride dihydrate) 0.1M Buffer System 2 (1.0M Sodium HEPES/MOPS(acids); pH 7.5) 50% v/v Precipitant Mix 1 (40% v/v PEG 500* MME; 20% w/v PEG 20000)