8T1M

Novel Domain of Unknown Function Solved with AlphaFold

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	40.110, 70.820, 94.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.250 - 3.000
R-factor	0.2795
Rwork	0.274
R-free	0.33300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8t0b
RMSD bond length	0.011
RMSD bond angle	1.444
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.250	47.250	3.080
High resolution limit [Å]	3.000	13.410	3.000
Rmerge	0.226	0.052	1.121
Rmeas	0.272	0.068	1.363
Number of reflections	5084	63	381
<I/σ(I)>	4.38
Completeness [%]	87.9
Redundancy	2.74
CC(1/2)	0.972	0.995	0.299

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	100mM Tris HCl pH 8.5, 150mM magnesium chloride, 12.5% PEG 8000