6W2H

Crystal Structure of the Internal UBA Domain of HHR23A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 43
Unit cell lengths	31.119, 31.119, 40.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.120 - 1.600
R-factor	0.1662
Rwork	0.162
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	P43 UBA-1 Y188G Structure Solved by Sulfur SAD
RMSD bond length	0.005
RMSD bond angle	0.705
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (1.17.1-3660)
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.120	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.088	0.806
Rmeas	0.091	0.840
Rpim	0.025	0.234
Number of reflections	5180	534
<I/σ(I)>	21.45	3.35
Completeness [%]	99.7	100
Redundancy	13.2	12.6
CC(1/2)	1.000	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris pH 8.5, 1.5 M Ammonium sulfate, 12%(v/v) Glycerol