5KVA

Crystal Structure of sorghum caffeoyl-CoA O-methyltransferase (CCoAOMT)

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	2015-05-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	55.531, 91.562, 55.783
Unit cell angles	90.00, 90.69, 90.00

Refinement procedure

Resolution	47.636 - 1.827
R-factor	0.1601
Rwork	0.159
R-free	0.19320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.101
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.640	1.860
High resolution limit [Å]	1.827	1.827
Number of reflections	48949
<I/σ(I)>	7.19
Completeness [%]	99.0	91.8
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2 M calcium acetate hydrate, 0.1 M Tris pH 8.0, 20% PEG 4000