8JYE

Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with HMBPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97883
Spacegroup name	P 41
Unit cell lengths	89.823, 89.823, 169.335
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.030 - 2.180
R-factor	0.1768
Rwork	0.175
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zxk
RMSD bond length	0.012
RMSD bond angle	1.738
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.030	2.250
High resolution limit [Å]	2.180	2.180
Rmerge	0.068
Number of reflections	69590	6594
<I/σ(I)>	21.9
Completeness [%]	99.4
Redundancy	13.4
CC(1/2)	0.999	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	42% PEG200, 0.1 M HEPES pH7.5