1LN1

Crystal Structure of Human Phosphatidylcholine Transfer Protein in Complex with Dilinoleoylphosphatidylcholine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	117
Detector technology	CCD
Collection date	2001-03-16
Detector	MARRESEARCH
Wavelength(s)	0.94645
Spacegroup name	I 4 2 2
Unit cell lengths	133.300, 133.300, 83.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.380 - 2.400
R-factor	0.237
Rwork	0.234
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	25.500 *
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.400	2.550
High resolution limit [Å]	2.400	2.400
Rmerge	0.036	0.231 *
Total number of observations	135402 *
Number of reflections	14602
Completeness [%]	98.1	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7 *	298	sodium formate, sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium formate	3.4-3.8 (M)
2	1	reservoir	sodium acetate	0.1 (M)	pH5.7
3	1	reservoir	dithiothreitol	5 (mM)