6V9D

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.917
Spacegroup name	P 31 2 1
Unit cell lengths	48.917, 48.917, 122.972
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.360 - 2.800
R-factor	0.2252
Rwork	0.220
R-free	0.27220
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.466
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.360	2.710
High resolution limit [Å]	2.640	2.640
Rmerge	0.093	1.060
Number of reflections	8121	1214
<I/σ(I)>	15.8
Completeness [%]	99.6
Redundancy	16.2
CC(1/2)	0.990	0.410

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