4F80

Crystal Structure of the human BTN3A1 ectodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 2 21
Unit cell lengths	40.055, 77.988, 98.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.945 - 1.944
R-factor	0.2257
Rwork	0.225
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bik 1tlk
RMSD bond length	0.011
RMSD bond angle	1.231
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.930	5.240	1.930
Number of reflections	23011
Completeness [%]	95.2	87.8	89.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	0.1M Citric acid pH4.0, 1.6M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K