6U44

Crystal structure of Methanoperedens nitroreducens elongation factor 2 H595N bound to GMPPCP and magnesium (monoclinic crystal form)

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	2016-11-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	78.322, 106.814, 98.056
Unit cell angles	90.00, 105.46, 90.00

Refinement procedure

Resolution	75.487 - 2.100
R-factor	0.1893
Rwork	0.187
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Methanoperedens nitroreducens elongation factor 2 H595N (triclinic crystal form)
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.500	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.086	0.523
Number of reflections	89195	12665
<I/σ(I)>	7.7	1.7
Completeness [%]	98.4
Redundancy	3.3
CC(1/2)	0.995	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	100 mM HEPES, pH 7.1-7.6, 200 mM ammonium sulfate, 5-15 % (v/v) isopropanol, 16.5-20 % (w/v) polyethylene glycol (PEG) 4000, 9 mM GppCp, and 15 mM MgCl2