5YX3

Chalcone isomerase from the Antarctic vascular plant Deschampsia Antarctica (DaCHI1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	200
Detector technology	CCD
Collection date	2016-04-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97933
Spacegroup name	C 2 2 21
Unit cell lengths	103.472, 113.635, 76.718
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.270 - 2.700
R-factor	0.2244
Rwork	0.222
R-free	0.27830
RMSD bond length	0.006
RMSD bond angle	1.141
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	12542
<I/σ(I)>	39.7
Completeness [%]	98.3
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293	0.2 M ammonium sulfate, 0.1 M MES (pH 7.3), 29% w/v PEG 5000 MME