5ZZ3

Crystal structure of intracellular B30.2 domain of BTN3A3

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	2017-01-08
Detector	PSI PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 43 21 2
Unit cell lengths	50.308, 50.308, 261.093
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.000
R-factor	0.199
Rwork	0.195
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n7u
RMSD bond length	0.015
RMSD bond angle	1.909
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	3.000	3.000
Rmerge		0.654
Number of reflections	7487	334
<I/σ(I)>	46.625
Completeness [%]	100.0	100
Redundancy	23.6
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	SODIUM CITRATE, IMIDAZOLE PH 8.0, 1 -PROPANOL., VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K