6DXD

Crystal structure of chalcone synthase from Arabidopsis thaliana - C347S mutant

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	2011-04-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	54.860, 138.220, 108.900
Unit cell angles	90.00, 95.73, 90.00

Refinement procedure

Resolution	32.920 - 1.590
R-factor	0.1453
Rwork	0.145
R-free	0.16850
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.920	1.647
High resolution limit [Å]	1.590	1.590
Rmerge	0.055	0.345
Rmeas	0.078	0.487
Rpim	0.055	0.345
Number of reflections	201521	17370
<I/σ(I)>	8.04	1.51
Completeness [%]	93.3	65.39
Redundancy	1.8	1.2
CC(1/2)	0.994	0.699

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