3JR1

Crystal structure of Putative fructosamine-3-kinase (YP_719053.1) from HAEMOPHILUS SOMNUS 129PT at 2.32 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97936,0.97922
Spacegroup name	C 1 2 1
Unit cell lengths	137.308, 85.627, 99.009
Unit cell angles	90.00, 132.92, 90.00

Refinement procedure

Resolution	27.671 - 2.320
R-factor	0.202
Rwork	0.199
R-free	0.24400
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.504
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.671		2.400
High resolution limit [Å]	2.320	4.980	2.320
Rmerge	0.126	0.052	0.546
Number of reflections	36282	7024	6673
<I/σ(I)>	5.93	13.4	1.6
Completeness [%]	96.7	95.8	96.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	5.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0, Additive: 0.001 M Adenosine 5'-[gamma-thio]triphosphate, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K