9ZRC

Crystal structure of macrodomain from Eastern Equine Encephalitis Virus i

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-04
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	40.450, 47.727, 66.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.850 - 1.250
R-factor	0.1464
Rwork	0.145
R-free	0.17260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.725
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.270
High resolution limit [Å]	1.250	3.390	1.250
Rmerge	0.083	0.041	0.291
Rmeas	0.087	0.043	0.369
Rpim	0.026	0.012	0.222
Total number of observations	312731
Number of reflections	33929	1998	930
<I/σ(I)>	16.1
Completeness [%]	93.0	99.9	52.4
Redundancy	9.2	11.9	1.9
CC(1/2)	0.994	0.995	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	Bis-Tris , PEG 3350