4S25

Crystal structure of Arabidopsis thaliana ThiC with bound imidazole ribonucleotide, S-adenosylhomocysteine, Fe4S4 cluster and Zn (trigonal crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	107.477, 107.477, 87.643
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.539 - 1.450
R-factor	0.1435
Rwork	0.142
R-free	0.16200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4n7q
RMSD bond length	0.007
RMSD bond angle	1.173
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.062	0.033	0.435
Number of reflections	100712
<I/σ(I)>	6.5
Completeness [%]	97.2	92.2	99.2
Redundancy	4.8	5.1	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	100 mM Na acetate, pH5.3-5.6, 1-9%(v/v) 1,4 butanediol, pH 5.5, vapor diffusion, hanging drop, temperature 298K