4KBS

Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 phosphatidic acid (12:0 PA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	46.910, 78.116, 107.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.622 - 1.898
R-factor	0.1913
Rwork	0.188
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Human ceramide-1-phosphate transfer protein in complex with 2:0 Ceramide-1-phosphate (2:0 C1P)
RMSD bond length	0.005
RMSD bond angle	0.871
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	0.058	0.035	0.459
Number of reflections	31943
<I/σ(I)>	10.8
Completeness [%]	99.5	98.1	98.6
Redundancy	5.9	5.5	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Sodium acetate, 0.1 M Bis-Tris propane pH 6.5, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K