8T0B

Novel Domain of Unknown Function Solved with AlphaFold

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	2019-02-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.4586
Spacegroup name	P 1 21 1
Unit cell lengths	39.470, 40.430, 78.490
Unit cell angles	90.00, 97.01, 90.00

Refinement procedure

Resolution	77.900 - 2.100
R-factor	0.2547
Rwork	0.251
R-free	0.28680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.948
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]	77.900	77.900	2.150
High resolution limit [Å]	2.100	9.370	2.100
Rmerge	0.042	0.022	0.498
Rmeas	0.059	0.031	0.701
Number of reflections	25176	279	1712
<I/σ(I)>	8.85
Completeness [%]	89.1
Redundancy	1.62
CC(1/2)	0.999	0.999	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	25% PEG 3350, 100mM Bis-Tris pH 5.5