8FR5

Crystal structure of the Human Smacovirus 1 Rep domain

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	2021-09-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97910
Spacegroup name	P 1 21 1
Unit cell lengths	31.160, 49.370, 31.380
Unit cell angles	90.00, 110.30, 90.00

Refinement procedure

Resolution	29.430 - 1.330
R-factor	0.1909
Rwork	0.187
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.768
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.430	1.378
High resolution limit [Å]	1.330	1.330
Rmerge	0.042	0.822
Rmeas	0.049	0.969
Rpim	0.025	0.504
Number of reflections	19703	5923
<I/σ(I)>	14.08	2.51
Completeness [%]	95.5	82.91
Redundancy	3.6	3.4
CC(1/2)	0.997	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1 M Sodium Acetate pH 5.0, 20% PEG 4000, 1 M Guanidine HCl