5ONS

Crystal structure of the minimal DENR-MCTS1 complex

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	2016-05-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.28226
Spacegroup name	P 41 2 2
Unit cell lengths	49.030, 49.030, 207.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.348 - 2.140
R-factor	0.2028
Rwork	0.200
R-free	0.25010
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.042
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXDE
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.350	2.180
High resolution limit [Å]	2.140	2.140
Rmerge	0.092	1.839
Number of reflections	14846
<I/σ(I)>	15.61	1.19
Completeness [%]	99.5	98.96
Redundancy	12.4	11.9
CC(1/2)		0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	291	0.2 M Ammonium sulphate 20 % PEG3350