5FAL

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

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	2015-09-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99998
Spacegroup name	P 21 21 21
Unit cell lengths	47.771, 63.521, 154.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.061 - 1.861
R-factor	0.1498
Rwork	0.148
R-free	0.18860
RMSD bond length	0.011
RMSD bond angle	1.284
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]	1.860
Number of reflections	38682
<I/σ(I)>	14.5
Completeness [%]	96.1
Redundancy	7.9

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