6DXB

Crystal structure of chalcone synthase from Arabidopsis thaliana

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	2010-08-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	54.640, 137.560, 108.560
Unit cell angles	90.00, 95.59, 90.00

Refinement procedure

Resolution	38.681 - 1.549
R-factor	0.1409
Rwork	0.141
R-free	0.16330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.264
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.681	1.604
High resolution limit [Å]	1.549	1.549
Rmerge	0.044	0.244
Rmeas	0.062	0.345
Rpim	0.044	0.244
Number of reflections	227280	21992
<I/σ(I)>	10.17	2.78
Completeness [%]	98.5	95.43
Redundancy	1.9	1.8
CC(1/2)	0.996	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M HEPES (pH 7.5), 0.3 M ammonium acetate, 14% (v/v) PEG 8000, and 5 mM DTT