38KF

Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with Phloretin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 32
Unit cell lengths	84.860, 84.860, 220.359
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	73.490 - 2.000
R-factor	0.2214
Rwork	0.220
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.485
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.490	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.092	0.883
Rpim	0.030
Number of reflections	119918	17601
<I/σ(I)>	13.6	2.6
Completeness [%]	99.9
Redundancy	10.3
CC(1/2)	0.998	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	30% (v/v) PEG1K, 100 mM Tris (pH 8.5) and 50 mM sodium malonate