8E83

Structure of 2-hydroxyisoflavanone synthase from Medicago truncatula

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2012-12-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790
Spacegroup name	P 1 21 1
Unit cell lengths	50.119, 73.787, 148.671
Unit cell angles	90.00, 93.48, 90.00

Refinement procedure

Resolution	42.700 - 2.000
R-factor	0.1934
Rwork	0.192
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SeMet protein structure
RMSD bond length	0.003
RMSD bond angle	0.525
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.700	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.069	0.366
Number of reflections	71558	6584
<I/σ(I)>	17.9	2.2
Completeness [%]	98.0	87.8
Redundancy	3.4	2.4
CC(1/2)	0.820	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	0.2 M (NH4)2SO4, 0.2 M ammonium tartrate dibasic, 0.05 M imidazole, 30% (w/v)PEG3350 and 0.1M K2HPO4/NaH2PO4 (pH6.8)