6Q64

BT1044SeMet E190Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9163
Spacegroup name	P 32 2 1
Unit cell lengths	119.584, 119.584, 83.094
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.990 - 2.400
R-factor	0.1993
Rwork	0.197
R-free	0.24364
RMSD bond length	0.010
RMSD bond angle	1.946
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	27124	2797
<I/σ(I)>	12.6	1.3
Completeness [%]	99.8	99.5
Redundancy	11.1	10.9
CC(1/2)	0.999	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200 mM NaF, Bis-Tris propane pH 6.5, 20% PEG 3350