4Y4F

Crystal structure of the mCD1d/GCK127/iNKTCR ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	78.589, 149.728, 101.386
Unit cell angles	90.00, 96.46, 90.00

Refinement procedure

Resolution	35.090 - 3.190
R-factor	0.2194
Rwork	0.218
R-free	0.25740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q7y 3quz
RMSD bond length	0.006
RMSD bond angle	0.879
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0104)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.310
High resolution limit [Å]	3.190	3.190
Rmerge	0.130	0.639
Number of reflections	38286
<I/σ(I)>	13.7	2.07
Completeness [%]	98.2	91.1
Redundancy	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.5	17% PEG 4000, 0.2M potassium acetate