3QTC

Crystal structure of the catalytic domain of MmOmeRS, an O-methyl tyrosyl-tRNA synthetase evolved from Methanosarcina mazei PylRS, complexed with O-methyl tyrosine and AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-13
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 64
Unit cell lengths	104.809, 104.809, 71.674
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.300 - 1.750
R-factor	0.1849
Rwork	0.183
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zce
RMSD bond length	0.010
RMSD bond angle	1.305
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.750	5.220	1.750
Rmerge	0.037	0.024	0.382
Number of reflections	44965	1720	7161
<I/σ(I)>	35.06	78.19	4.26
Completeness [%]	99.7	97.7	98.9
Redundancy	10.2	10.2	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	11% PEG MME 2000, 100mM TRIS-HCl pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K