3OV3

G211F mutant of curcumin synthase 1 from Curcuma longa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	76.700, 116.360, 221.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 2.500
R-factor	0.1946
Rwork	0.192
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.450
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.126	0.030	0.833
Rmeas		0.032	0.896
Number of reflections	68101	703	4943
<I/σ(I)>	13.81	45.8	2.4
Completeness [%]	98.2	78.6	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.3 M sodium malonate pH 7.0, 25% PEG3350 , VAPOR DIFFUSION, SITTING DROP, temperature 293K