4K85

Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 Ceramide-1-Phosphate (12:0-C1P)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0750
Spacegroup name	P 1 21 1
Unit cell lengths	56.191, 132.677, 62.107
Unit cell angles	90.00, 96.98, 90.00

Refinement procedure

Resolution	31.232 - 1.901
R-factor	0.1837
Rwork	0.181
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CPTP in complex with 2:0 ceramide-1-phosphate
RMSD bond length	0.007
RMSD bond angle	0.971
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.072	0.042	0.440
Number of reflections	70265
<I/σ(I)>	9.8
Completeness [%]	99.1	99.5	93.1
Redundancy	5.5	5.6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2 M Ammonium chloride, 0.1 M Hepes pH 7.0, 20% PEG6000, VAPOR DIFFUSION, SITTING DROP, temperature 293K