6ILC

CRYSTAL STRUCTURE OF BAT MHC CLASS I PTAL-N*01:01 FOR 2.2 ANGSTROM

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	2017-10-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	C 2 2 21
Unit cell lengths	72.660, 86.930, 135.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.900 - 2.200
R-factor	0.1867
Rwork	0.184
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vfn
RMSD bond length	0.007
RMSD bond angle	0.908
Data reduction software	HKL-3000
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	135.540	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.110	0.248
Number of reflections	23392	2127
<I/σ(I)>	16
Completeness [%]	99.8
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M Lithium sulfate monohydrate, 0.1M BIS-TRIS ph6.5, 25%(w/v) Polyethylene glycol 3,350