5GJA

Crystal structure of Arabidopsis thaliana ACO2 in complex with 2-PA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97791
Spacegroup name	P 1
Unit cell lengths	69.455, 95.343, 95.892
Unit cell angles	90.06, 89.48, 89.99

Refinement procedure

Resolution	48.592 - 2.100
R-factor	0.1713
Rwork	0.171
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.061
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.105	0.431
Number of reflections	140740
<I/σ(I)>	10	2.3
Completeness [%]	97.4	96.8
Redundancy	3.5	3.5
CC(1/2)		0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG 3350, citric acid