3CVI

How TCR-like antibody recognizes MHC-bound peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-02-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	49.440, 60.860, 79.750
Unit cell angles	90.00, 111.97, 90.00

Refinement procedure

Resolution	20.020 - 1.800
Rwork	0.219
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1osp
RMSD bond length	0.009
RMSD bond angle	1.520
Data reduction software	d*TREK
Data scaling software	d*TREK (7.1SSI)
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.020	20.020	1.860
High resolution limit [Å]	1.800	3.860	1.800
Rmerge	0.089	0.047	0.374
Total number of observations		13273	10711
Number of reflections	40448
<I/σ(I)>	4.5	11.9	1.3
Completeness [%]	98.3	96.8	91.5
Redundancy	3.06	3.13	2.87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.2 M (NH4)2SO4, 0.1 M NaOAc, pH 4.6 containing 25% w/v polyethylene glycol 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K