3QI9

Crystal structure of mouse CD1d-alpha-phosphotidylinositol with mouse Valpha14-Vbeta6 2A3-D NKT TCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Wavelength(s)	1.47
Spacegroup name	P 41 21 2
Unit cell lengths	95.697, 95.697, 289.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.310 - 2.300
R-factor	0.2484
Rwork	0.247
R-free	0.27490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3he7
RMSD bond length	0.005
RMSD bond angle	0.976
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	41.000
High resolution limit [Å]	2.300
Number of reflections	69852
<I/σ(I)>	15.3
Redundancy	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	296	PEG 6000, Sodium Citrate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 296K