5FAN

Crystal structure of PvHCT in complex with p-coumaroyl-CoA and protocatechuate

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	2015-09-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	47.400, 63.624, 155.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.329 - 1.901
R-factor	0.1633
Rwork	0.161
R-free	0.20500
RMSD bond length	0.011
RMSD bond angle	1.397
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.900
Number of reflections	35939
<I/σ(I)>	11.1
Completeness [%]	94.9
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Lithium Sulfate, 0.1 M Tris-HCl pH 8.5 and 25 % w/v PEG 3,350