6V9B

Co-crystal structure of the fluorogenic Mango-IV homodimer bound to TO1-Biotin

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]	100
Detector technology	PIXEL
Collection date	2017-12-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.495
Spacegroup name	P 31 2 1
Unit cell lengths	48.953, 48.953, 123.349
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.390 - 2.400
R-factor	0.2082
Rwork	0.204
R-free	0.24370
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	3.147
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.400	2.390
High resolution limit [Å]	2.350	2.350
Rmerge	0.060
Number of reflections	12961	721
<I/σ(I)>	50.6	1.2
Completeness [%]	100.0
Redundancy	7.2
CC(1/2)	0.970	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	0.1 M Tris-HCl pH 8.5, 0.01 M CoCl2, 1.65-1.75 M NH4SO4, 0.01-0.015 M Phenol