5YX4

Isoliquiritigenin-complexed Chalcone isomerase (S189A) 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	2016-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97950
Spacegroup name	P 32 2 1
Unit cell lengths	83.221, 83.221, 93.127
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.610 - 2.100
R-factor	0.19073
Rwork	0.189
R-free	0.22602
RMSD bond length	0.019
RMSD bond angle	1.945
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	22153
<I/σ(I)>	40.4
Completeness [%]	99.5
Redundancy	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	0.076 M sodium phosphate dibasic, 1.152 M potassium phosphate dibasic (pH 8.2)