6J0G

Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP

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	2017-11-29
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9998
Spacegroup name	P 1
Unit cell lengths	39.109, 67.108, 75.436
Unit cell angles	85.78, 86.88, 86.90

Refinement procedure

Resolution	24.685 - 1.600
R-factor	0.2448
Rwork	0.242
R-free	0.28930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n7u
RMSD bond length	0.006
RMSD bond angle	0.908
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.089
Number of reflections	97578	9312
<I/σ(I)>	15.11
Completeness [%]	96.3
Redundancy	5.3
CC(1/2)		0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Sodium Acetate trihydrate , Tris Hydrochloride ,Polyethylene Glycol 4000