6EZD

Pyrrolysyl-tRNA synthetase from Canditatus Methanomethylophilus alvus (MmaPylRS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	C 2 2 21
Unit cell lengths	92.642, 94.177, 289.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.780 - 2.400
R-factor	0.2167
Rwork	0.215
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dsq
RMSD bond length	0.003
RMSD bond angle	0.505
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.780	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.117	0.664
Rmeas	0.128	0.721
Rpim	0.050	0.277
Number of reflections	49665	4856
<I/σ(I)>	13.04
Completeness [%]	99.0	98
Redundancy	6.4	6.6
CC(1/2)	0.996	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.09 M (NaNO3, Na2HPO4, (NH4)2SO4), 0.1 M Tris (base), bicine and 5 mM MgCl2. 15-7mg/ml (in 10 mM HEPES-Na pH 7.4, 300 mM NaCl)