5XET

Crystal structure of Mycobacterium tuberculosis methionyl-tRNA synthetase bound by methionyl-adenylate (Met-AMP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977760
Spacegroup name	H 3
Unit cell lengths	198.017, 198.017, 39.161
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.420 - 2.380
R-factor	0.2035
Rwork	0.201
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x1l
RMSD bond length	0.008
RMSD bond angle	0.804
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.420	2.540
High resolution limit [Å]	2.380	2.380
Rmerge	0.156	0.585
Number of reflections	49191	8103
<I/σ(I)>	4.77	1.61
Completeness [%]	89.8	97.6
Redundancy	1.9	2.13
CC(1/2)	0.973	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.9	293	0.2M Lithium sulfate monohydrate, 19% PEG 3350, bis tris