4WJM

Crystal structure of Fructokinase from Brucella abortus 2308 with bound AMPPNP

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]	90
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	109.890, 109.890, 58.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.750 - 1.700
R-factor	0.1712
Rwork	0.170
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.106
Data reduction software	XDS
Data scaling software	XSCALE (2.5.7)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1810))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.750		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.072	0.031	0.533
Rmeas	0.075	0.032	0.552
Total number of observations	557667
Number of reflections	39662	527	2882
<I/σ(I)>	25.55	49.34	5.71
Completeness [%]	100.0	99.1	100
Redundancy	14.06

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	2.4M Na Malonate pH 7.0