5KTC

FdhC with bound products: Coenzyme A and 3-[(R)-3-hydroxybutanoylamino]-3,6-dideoxy-d-galactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-15
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	76.268, 76.268, 73.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.19664
Rwork	0.194
R-free	0.24746
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kta
RMSD bond length	0.019
RMSD bond angle	2.038
Data reduction software	SAINT (7.06A)
Data scaling software	SADABS (2005/1)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Rmerge	0.074
Number of reflections	20344
<I/σ(I)>	17.6
Completeness [%]	98.2
Redundancy	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5	277	30% monomethylether poly(ethylene glycol) 5000, 200 mM LiCl, and 100 mM Homo-PIPES