4N1E

Structural evidence for antigen receptor evolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-12-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 1 21 1
Unit cell lengths	114.917, 39.413, 178.301
Unit cell angles	90.00, 106.38, 90.00

Refinement procedure

Resolution	45.660 - 2.230
R-factor	0.225
Rwork	0.223
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.452
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	171.061	45.664	2.330
High resolution limit [Å]	2.230	7.000	2.230
Rmerge		0.041	0.252
Total number of observations		24553	35589
Number of reflections	72711
<I/σ(I)>	14.3	14	3.1
Completeness [%]	93.5	99.7	76.3
Redundancy	6.2	9.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M sodium formate, 18% (w/v) PEG3350, vapor diffusion, hanging drop, temperature 293K