3OIT

Crystal structure of curcuminoid synthase CUS from Oryza sativa

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
Collection date	2010-02-07
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	57.780, 68.510, 211.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.1968
Rwork	0.195
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bi5
RMSD bond length	0.009
RMSD bond angle	1.231
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.065	0.026	0.480
Rmeas		0.027	0.507
Number of reflections	57647	667	4199
<I/σ(I)>	22.48	125.1	5.1
Completeness [%]	99.7	88.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100mM Tris-HCl, 20% PEG 4000, 200mM NaCl, 6% 1,6-hexanediol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K