4K8N

Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 18:1 Ceramide-1-Phosphate (18:1-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	2010-07-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	236.983, 128.758, 66.663
Unit cell angles	90.00, 93.53, 90.00

Refinement procedure

Resolution	30.052 - 3.102
R-factor	0.2271
Rwork	0.225
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CPTP in complex with 2:0 ceramide-1-phosphate
RMSD bond length	0.005
RMSD bond angle	0.872
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.210
High resolution limit [Å]	3.100	6.660	3.100
Rmerge	0.110	0.055	0.478
Number of reflections	35765
<I/σ(I)>	8.3
Completeness [%]	99.3	98.9	98
Redundancy	4.9	4.9	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Sodium malonate, 0.1 M Bis-Tris Propane pH 6.5, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K