5ZNZ

Structure of mDR3 DD with MBP tag mutant-I387V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	110
Detector technology	PIXEL
Collection date	2018-01-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	89.400, 144.870, 177.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.527 - 2.550
Rwork	0.234
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1omp
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.550	2.550
Number of reflections	75446
<I/σ(I)>	17.51
Completeness [%]	99.5
Redundancy	6.53
CC(1/2)	0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	2.5 M ammonium sulfate, 0.1 M MES 5.5