5XGQ

Crystal structure of apo form (free-state) Mycobacterium tuberculosis methionyl-tRNA synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2015-08-16
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000040
Spacegroup name	P 1
Unit cell lengths	49.983, 72.727, 78.376
Unit cell angles	98.90, 90.05, 98.47

Refinement procedure

Resolution	48.686 - 1.899
R-factor	0.2035
Rwork	0.202
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x1l
RMSD bond length	0.003
RMSD bond angle	0.589
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.686	2.010
High resolution limit [Å]	1.899	1.900
Rmerge	0.094	0.723
Number of reflections	158725	27608
<I/σ(I)>	6.68	0.97
Completeness [%]	93.1
Redundancy	1.68	1.53
CC(1/2)	0.993	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.1	293	0.1M calcium acetate, 0.1M sodium cacodylate, 16%PEG8000