7EV3

Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-10 and ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97934
Spacegroup name	P 65 2 2
Unit cell lengths	61.266, 61.266, 333.627
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.890 - 2.700
R-factor	0.2036
Rwork	0.201
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7el8
RMSD bond length	0.009
RMSD bond angle	1.151
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	11213	530
<I/σ(I)>	15	2.8
Completeness [%]	99.8
Redundancy	21.8
CC(1/2)	0.978	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	291	0.2M MgCl2, 35% PEG 400, 0.1M MES, pH 5.7