2CKO

Crystal structure of Human Choline Kinase alpha 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-29
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	56.180, 122.820, 132.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.150
R-factor	0.204
Rwork	0.199
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nw1
RMSD bond length	0.014
RMSD bond angle	1.371
Data reduction software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.110	0.620
Number of reflections	50560
<I/σ(I)>	20.38	5.76
Completeness [%]	99.9	100
Redundancy	17.9	17.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.01 M MGCL2, 15% PEG 3350, 0.2M NAF, pH 7.50