4ELK

Crystal structure of the Hy19.3 type II NKT TCR

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	2010-02-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	73.220, 101.530, 134.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.233 - 2.100
R-factor	0.1904
Rwork	0.188
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q86
RMSD bond length	0.007
RMSD bond angle	1.037
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.079	0.563
Number of reflections	59222
<I/σ(I)>	11.5	2.5
Completeness [%]	99.9	99.9
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	295	18% PEG 4000, 0.2M ammonium citrate dibasic, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 295K