4DOK

Crystal structure of Arabidopsis thaliana chalcone-isomerase like protein At5g05270 (AtCHIL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-18
Detector	ADSC Quantum Q315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	115.997, 65.869, 70.245
Unit cell angles	90.00, 117.15, 90.00

Refinement procedure

Resolution	37.222 - 1.700
Rwork	0.192
R-free	0.21900
Structure solution method	SAD, MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.232
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.21)
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.222	37.222	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge	0.062	0.033	0.451
Total number of observations		7073	16373
Number of reflections	49989
<I/σ(I)>	11.8	14.2	1.5
Completeness [%]	88.1	98.8	77.4
Redundancy	3.1	3.8	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M sodium TAPS, 28% (w/v) PEG 8000, 0.2 M calcium acetate, 2 mM dithiothreitol, pH 8.5, vapor diffusion, hanging drop, temperature 277K