2I7Q

Crystal structure of Human Choline Kinase A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97625
Spacegroup name	P 43 21 2
Unit cell lengths	61.798, 61.798, 218.193
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.900
Rwork	0.228
R-free	0.27850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nw1 residues 155-419 and 76-153
RMSD bond length	0.017
RMSD bond angle	1.401
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.051	0.026	0.691
Number of reflections	36255	4067	2672
<I/σ(I)>	12.9
Completeness [%]	96.7
Redundancy	9.6	8.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	25% PEG3350, 0.1M Ammonium sulfate, 0.1M bis-Tris, pH 6.5, vapor diffusion, sitting drop, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	25% PEG3350, 0.1M Ammonium sulfate, 0.1M bis-Tris, pH 6.5, vapor diffusion, sitting drop, temperature 291K