6ZQQ

Structure of the Pmt3-MIR domain with bound ligands

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9724
Spacegroup name	P 1
Unit cell lengths	55.289, 64.306, 65.555
Unit cell angles	107.90, 99.85, 99.72

Refinement procedure

Resolution	52.933 - 1.900
R-factor	0.1763
Rwork	0.174
R-free	0.21950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mal
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.933	1.990
High resolution limit [Å]	1.900	1.900
Number of reflections	61932	5998
<I/σ(I)>	14.14
Completeness [%]	95.5
Redundancy	5.4
CC(1/2)	0.999	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES pH 6, 0.26 M calcium acetate and 15% (w/v) polyethylene glycol 8000