4S27

Crystal structure of Arabidopsis thaliana ThiC with bound aminoimidazole ribonucleotide, 5'-deoxyadenosine, L-methionine, Fe4S4 cluster and Fe

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	2014-04-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	106.936, 106.936, 87.619
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.887 - 1.270
R-factor	0.1202
Rwork	0.119
R-free	0.13980
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4n7q
RMSD bond length	0.007
RMSD bond angle	1.202
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	1.320
High resolution limit [Å]	1.270	2.740	1.270
Rmerge	0.043	0.027	0.374
Number of reflections	152447
<I/σ(I)>	7.7
Completeness [%]	99.9	99.5	99.8
Redundancy	5.3	5.4	5

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