8FLX

De novo designed homotrimer; the fusion product of BGL17 and DHR59

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.987
Spacegroup name	I 2 3
Unit cell lengths	153.477, 153.477, 153.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.530 - 4.500
R-factor	0.3064
Rwork	0.302
R-free	0.34410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	6.603
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.660
High resolution limit [Å]	4.500	9.670	4.500
Rmerge	1.003	0.038	0.796
Total number of observations	69242
Number of reflections	6944	703	690
<I/σ(I)>	4.4
Completeness [%]	100.0	100	100
Redundancy	10	10.5	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	100mM Ammonium citrate tribasic pH 7.0, 10% PEG 3350