4XAE

Structure of Feruloyl-CoA 6-hydroxylase (F6H) from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	193.219, 54.554, 78.815
Unit cell angles	90.00, 111.54, 90.00

Refinement procedure

Resolution	44.930 - 2.769
R-factor	0.2484
Rwork	0.243
R-free	0.29990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gp4
RMSD bond length	0.006
RMSD bond angle	1.194
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.930	2.795
High resolution limit [Å]	2.700	2.700
Rmerge	0.139	0.366
Number of reflections	19697
<I/σ(I)>	6.7	2.01
Completeness [%]	92.2	59.5
Redundancy	6.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	Sitting drop vapor diffusion at 291K using 2 microliter drops containing equal volumes of protein concentrate and a precipitant cocktail containing 20% (w/v) PEG-8000, 0.1 M MES, 0.3 M Ca(OAc)2, pH 6.0