6DX7

Crystal structure of chalcone synthase from Physcomitrella patens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	71.600, 192.830, 195.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.011 - 2.610
R-factor	0.183
Rwork	0.181
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.011	2.703
High resolution limit [Å]	2.610	2.610
Rmerge	0.040	0.444
Rmeas	0.056	0.628
Rpim	0.040	0.444
Number of reflections	82406	7763
<I/σ(I)>	14.31	1.57
Completeness [%]	99.0	94.6
Redundancy	2	1.8
CC(1/2)	0.998	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	277	0.1 M MES (pH 6.9), 18% (v/v) PEG 20000, and 5 mM DTT