4F9P

Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 103.2 Single Chain Antibody

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	2011-11-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	88.360, 117.680, 121.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.540 - 3.519
R-factor	0.3748
Rwork	0.373
R-free	0.40760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	48F0 3dif 1xgp
RMSD bond length	0.008
RMSD bond angle	1.377
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.510
High resolution limit [Å]	3.450	9.350	3.450
Number of reflections	16002
Completeness [%]	99.2	96.8	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1M Hepes pH7.5, 1M Sodium Chloride, 15% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 298K