2QHP

Crystal structure of fructokinase (NP_810670.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97932
Spacegroup name	C 2 2 21
Unit cell lengths	81.300, 152.540, 50.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.336 - 1.800
R-factor	0.174
Rwork	0.172
R-free	0.21500
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.575
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.336	29.336	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.045	0.019	0.361
Number of reflections	29514	5623	4657
<I/σ(I)>	11.38	32.5	2
Completeness [%]	98.2	98.1	87.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	277	NANODROP, 0.2M NH4NO3, 20.0% PEG 3350, No Buffer pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K