7EV2

Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-11 and ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12713
Spacegroup name	P 65 2 2
Unit cell lengths	61.548, 61.548, 335.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.640 - 2.100
R-factor	0.1988
Rwork	0.197
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7el8
RMSD bond length	0.008
RMSD bond angle	0.976
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	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	23421	1144
<I/σ(I)>	41	6.8
Completeness [%]	99.9	100
Redundancy	33.1	36.2
CC(1/2)	0.997	0.982

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