5GJ9

Crystal structure of Arabidopsis thaliana ACO2 in complex with POA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-14
Detector	RAYONIX MX-225
Wavelength(s)	1.00895
Spacegroup name	P 1 21 1
Unit cell lengths	49.378, 95.096, 70.145
Unit cell angles	90.00, 105.91, 90.00

Refinement procedure

Resolution	33.729 - 2.100
R-factor	0.1564
Rwork	0.153
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.860
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	0.067	0.158
Number of reflections	35745
<I/σ(I)>	25	13.2
Completeness [%]	99.0	98.3
Redundancy	3.6	3.6
CC(1/2)		0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	PEG 3350, citric acid