8VC7

Crystal Structure of Human BTN2A1 ectodomain in complex with Antagonist 2A1.9 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1950
Spacegroup name	P 21 21 21
Unit cell lengths	44.915, 200.976, 206.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.460 - 2.760
R-factor	0.2194
Rwork	0.218
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5015)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.460	2.850
High resolution limit [Å]	2.760	2.760
Rmerge	0.258	1.424
Rmeas	0.290	1.595
Rpim	0.131	0.711
Number of reflections	49431	4503
<I/σ(I)>	7.2
Completeness [%]	99.8	100
Redundancy	8.9	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	298	Optimized well-G9 from Morpheus MIDAS MD1-76-HT Screen: - 0.1M Buffer System 3, pH 8.3 (Buffer System 3 1M Stock: 50.3% 1M Bicine, 49.7% 1M Tris) - 0.1M Carboxylic Acids Mix (Carboxylic Acids Mix 1M Stock: 0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribasic dihydrate; 0.2M Potassium sodium tartrate tetrahydrate; 0.2M Sodium oxamate) - 20% Precipitant mix 1 (Precipitant mix 1 60% Stock: 40% v/v PEG500 MME; 20% w/v PEG20000)