8RSI

Crystal structure of Methanobrevibacter oralis macrodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.28229
Spacegroup name	P 21 21 2
Unit cell lengths	70.320, 146.609, 58.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.412 - 2.059
Rwork	0.193
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.729
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	146.390	2.110
High resolution limit [Å]	2.059	2.059
Number of reflections	38093	2762
<I/σ(I)>	6.7	0.9
Completeness [%]	100.0
Redundancy	12.1
CC(1/2)	0.992	0.457

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	46.8 mM MES monohydrate, 53.2 mM imidazole, 20% (v/v) ethylene glycol, 10% (w/v) PEG8000