5EYN

Crystal structure of Fructokinase from Vibrio cholerae O395 in fructose, ADP, Beryllium trifluoride and calcium ion bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 21 21 2
Unit cell lengths	64.300, 107.218, 41.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.150 - 1.289
R-factor	0.1425
Rwork	0.141
R-free	0.16890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tz6
RMSD bond length	0.019
RMSD bond angle	1.374
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.150	1.310
High resolution limit [Å]	1.289	1.290
Rmerge	0.044	0.460
Number of reflections	71986
<I/σ(I)>	7.5	1.35
Completeness [%]	97.4	81.1
Redundancy	3.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	5% PEG 6000, 0.1M MES, pH 6.0 as precipitant and VcFK (complex with 5 mM ADP + 5 mM Fructose ) + 5 mM BeF3 (soaked)