3DXQ

Crystal structure of choline/ethanolamine kinase family protein (NP_106042.1) from MESORHIZOBIUM LOTI at 2.55 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	2008-06-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97882,0.97949,0.91837
Spacegroup name	P 21 21 2
Unit cell lengths	102.070, 173.620, 39.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.566 - 2.550
R-factor	0.244
Rwork	0.242
R-free	0.28400
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.345
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]	29.566		2.640
High resolution limit [Å]	2.550	5.460	2.550
Rmerge	0.071	0.025	0.682
Number of reflections	23913	4495	4111
<I/σ(I)>	10.09	25.9	1.4
Completeness [%]	97.9	98	93.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	277	0.2000M NaNO3, 20.0000% PEG-3350, No Buffer pH 6.8, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K