5UC5

Chalcone synthase from Malus domestica

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	2009-12-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	118.819, 56.628, 111.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.990 - 2.102
R-factor	0.168
Rwork	0.166
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bi5
RMSD bond length	0.003
RMSD bond angle	0.743
Data reduction software	iMOSFLM
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.092	0.044	0.496
Number of reflections	42128
<I/σ(I)>	11.9
Completeness [%]	94.9	99.6	94.8
Redundancy	4.8	5	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	278	Reservoir: Sodium-MOPSO (pH 7.0) 100mM, Ammonium Acetate 300mM, PEG8000 14%. Ratio of protein to reservoir= 1:1