3BIB

Tim-4 in complex with phosphatidylserine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97925
Spacegroup name	P 63 2 2
Unit cell lengths	66.260, 66.260, 139.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.500
R-factor	0.22082
Rwork	0.219
R-free	0.24831
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	TIM-2 HOMOLOGOUS MODEL
RMSD bond length	0.008
RMSD bond angle	1.114
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.057	0.168
Number of reflections	6799
<I/σ(I)>	9.3	4.4
Completeness [%]	99.9	100
Redundancy	11	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	294	0.1 M SODIUM CITRATE, 10 % JEFFAMINE, 10 mM FeCl3. PROTEIN PRE-INCUBATED WITH 5 mM 1,2 DICAPROYL-sn-GLYCERO-3-(PHOSPHO-L-SERINE) AND 5 mM CaCl2, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 294K