4EUN

Crystal structure of a sugar kinase (Target EFI-502144 from Janibacter sp. HTCC2649), unliganded structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-19
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	51.088, 51.088, 119.616
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.569 - 1.600
R-factor	0.1872
Rwork	0.185
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t61
RMSD bond length	0.006
RMSD bond angle	0.987
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.244	119.616	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge		0.040	0.762
Total number of observations		6827	36431
Number of reflections	24591
<I/σ(I)>	20	14.9	1
Completeness [%]	99.7	93.6	100
Redundancy	10.4	8.2	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SITTING DROP, VAPOR DIFFUSION	7	298	protein (10 mM HEPES, pH 7.5, 150 mM sodium chloride, 10% glycerol, 1 mM DTT), reservoir (0.1 M Bis-Tris propane, pH 7.0, 2.5 M ammonium sulfate), cryoprotection (reservoir + 20% glycerol), SITTING DROP, VAPOR DIFFUSION, temperature 298K