6ISM

Crystal structure of intracellular B30.2 domain of BTN3A1 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-22
Detector	RAYONIX MX-300
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	47.029, 54.305, 63.027
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.140 - 1.250
R-factor	0.17513
Rwork	0.174
R-free	0.20521
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n7u
RMSD bond length	0.017
RMSD bond angle	1.717
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.140	1.290
High resolution limit [Å]	1.250	1.250
Rmerge	0.050	0.288
Number of reflections	42394	3880
<I/σ(I)>	53.69
Completeness [%]	98.0
Redundancy	10.7
CC(1/2)		0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Magnesium chloride hexahydrate, HEPES pH 7.5, Polyethylene glycol monomethyl ether 550