6W2G

Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A in Monoclinic Unit Cell

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 1 21 1
Unit cell lengths	29.490, 40.080, 32.893
Unit cell angles	90.00, 91.39, 90.00

Refinement procedure

Resolution	32.880 - 1.100
R-factor	0.1399
Rwork	0.139
R-free	0.15270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	P43 UBA-1 Y188G Structure Solved by Sulfur SAD
RMSD bond length	0.008
RMSD bond angle	1.036
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]	33.880	1.139
High resolution limit [Å]	1.100	1.100
Rmerge	0.017	0.079
Rmeas	0.019	0.088
Rpim	0.007	0.040
Number of reflections	29568	2513
<I/σ(I)>	56.13	16.63
Completeness [%]	94.8	81.04
Redundancy	6.2	4.7
CC(1/2)	1.000	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Ammonium sulfate, 0.1M Phosphate-citrate pH 4.2, 40%(v/v) Ethylene glycol