4EBU

Crystal structure of a sugar kinase (Target EFI-502312) from Oceanicola granulosus, with bound AMP/ADP crystal form I

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 31 2 1
Unit cell lengths	94.308, 94.308, 82.959
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.638 - 2.000
R-factor	0.179
Rwork	0.177
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e69
RMSD bond length	0.007
RMSD bond angle	1.094
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]	82.959	36.638	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.117	0.043	0.665
Total number of observations		4043	22918
Number of reflections	29081
<I/σ(I)>	8.5	15.1	1.1
Completeness [%]	99.5	85.7	100
Redundancy	5.4	4.7	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	protein (10 mM HEPES, pH 7.5, 150 mM sodium chloride, 10% glycerol, 1 mM DTT, 5 mM AMP-PNP), reservoir (0.1 M sodium acetate, pH 4.6, 1.5 M ammonium chloride), cryoprotection (reservoir + 20% glycerol), VAPOR DIFFUSION, SITTING DROP, temperature 298K