6DXA

Crystal structure of chalcone synthase from Pinus sylvestris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	P 1 21 1
Unit cell lengths	58.017, 100.059, 65.882
Unit cell angles	90.00, 110.81, 90.00

Refinement procedure

Resolution	61.585 - 2.010
R-factor	0.1607
Rwork	0.158
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.297
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.585	2.082
High resolution limit [Å]	2.010	2.010
Rmerge	0.142	0.617
Rmeas	0.168	0.758
Rpim	0.088	0.436
Number of reflections	46489	4596
<I/σ(I)>	10.4	2.62
Completeness [%]	99.3	98.75
Redundancy	3.6	2.9
CC(1/2)	0.979	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.14 M NH4Cl, 20% (v/v) PEG 3350, and 5 mM DTT