6MS4

Crystal structure of the DENR-MCT-1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	291
Detector technology	PIXEL
Collection date	2017-02-09
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.9792
Spacegroup name	P 41 21 2
Unit cell lengths	67.810, 67.810, 124.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.577 - 2.001
R-factor	0.2332
Rwork	0.231
R-free	0.27090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r90
RMSD bond length	0.009
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.577	59.577	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.054	0.028	6.700
Rmeas	0.058	0.030	7.136
Total number of observations	173065
Number of reflections	20310	285	1454
<I/σ(I)>	14.59	56.63	0.22
Completeness [%]	99.8	100	99.7
Redundancy	8.521	7.291	8.416
CC(1/2)	1.000	0.999	0.178

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.6	293.15	50 mM Tris-HCl, 20% PEG 4000, pH 8.6