5NME

868 TCR in complex with HLA A02 presenting SLYNTVATL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	211.140, 85.140, 113.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.760 - 2.940
R-factor	0.19947
Rwork	0.196
R-free	0.26326
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bnu 2v2w
RMSD bond length	0.017
RMSD bond angle	1.972
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.760	3.010
High resolution limit [Å]	2.940	2.940
Rmerge	0.125	0.959
Number of reflections	44013	3213
<I/σ(I)>	12.4	2.1
Completeness [%]	99.1	99.8
Redundancy	7.5	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Sodium Cacodylate, pH 6.0, 15% PEG 4000, 0.2 M Ammonium Sulphate