8RSJ

Crystal structure of Methanobrevibacter oralis macrodomain in complex with ADPr in open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.966000
Spacegroup name	P 1 21 1
Unit cell lengths	75.986, 58.101, 76.269
Unit cell angles	90.00, 117.66, 90.00

Refinement procedure

Resolution	67.390 - 1.660
Rwork	0.192
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.662
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.390	1.690
High resolution limit [Å]	1.660	1.660
Number of reflections	68604	2906
<I/σ(I)>	18.7	3.3
Completeness [%]	98.5
Redundancy	6
CC(1/2)	0.999	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	200 mM sodium fluoride, 100 mM BisTris propane [pH 7.5], 20% (w/v) PEG3350< 1 M potassium sodium tartrate tetrahydrate