7ENT

Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-13 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 PILATUS 6M
Wavelength(s)	0.97934
Spacegroup name	P 65 2 2
Unit cell lengths	61.460, 61.460, 334.599
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.040 - 2.400
R-factor	0.1982
Rwork	0.195
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7el8
RMSD bond length	0.010
RMSD bond angle	1.196
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	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.172	1.022
Number of reflections	15814	762
<I/σ(I)>	19.67	2.14
Completeness [%]	99.7	98.8
Redundancy	17.8
CC(1/2)	1.000	0.789

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