4K84

Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 16:0 ceramide-1-phosphate (16:0-C1P)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.2398
Spacegroup name	P 1 21 1
Unit cell lengths	62.604, 50.291, 62.870
Unit cell angles	90.00, 100.11, 90.00

Refinement procedure

Resolution	40.278 - 1.897
R-factor	0.1647
Rwork	0.162
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Human ceramide-1-phosphate transfer protein in complex with C2 Ceramide-1-phosphate (2:0 C1P)
RMSD bond length	0.007
RMSD bond angle	0.936
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.5_2)

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	0.079	0.047	0.269
Number of reflections	30620
<I/σ(I)>	10
Completeness [%]	99.7	99.7	96.8
Redundancy	6.8	7	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M MMT buffer pH 5.0, 25% PEG1500, VAPOR DIFFUSION, SITTING DROP, temperature 293K