6W2I

Crystal Structure of Y188G Variant 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)	0.9795
Spacegroup name	P 43
Unit cell lengths	31.164, 31.164, 40.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.160 - 1.450
R-factor	0.1532
Rwork	0.150
R-free	0.18300
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.068
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	Aimless (0.7.4)
Phasing software	HKL2Map (0.4.e-beta)
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.160	1.968	1.502
High resolution limit [Å]	1.450	1.900	1.450
Rmerge	0.077	0.091	0.590
Rmeas	0.080	0.093	0.615
Rpim	0.022	0.019	0.170
Number of reflections	6875	292	680
<I/σ(I)>	22.37	29.74	4.34
Completeness [%]	99.0	96.05	97.84
Redundancy	13.4	24.1	12.5
CC(1/2)	1.000	0.999	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.0M Ammonium sulfate
2	VAPOR DIFFUSION, SITTING DROP		293	2.0M Ammonium sulfate