4U7X

Crystal structure of Fructokinase from Brucella abortus 2308

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-16
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 42 21 2
Unit cell lengths	103.900, 103.900, 61.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.465 - 2.100
R-factor	0.217
Rwork	0.215
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.996
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: dev_1760))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.054	0.023	0.494
Rmeas	0.055	0.024	0.520
Total number of observations	331382
Number of reflections	20243	275	1479
<I/σ(I)>	33.45	74	4.68
Completeness [%]	99.9	95.5	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	2.4 M Sodium Malonate