7ENS

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 65 2 2
Unit cell lengths	61.752, 61.752, 334.653
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.780 - 2.200
R-factor	0.2262
Rwork	0.225
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7el8
RMSD bond length	0.009
RMSD bond angle	1.123
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	2.250
High resolution limit [Å]	2.200	2.200
Number of reflections	20558	1228
<I/σ(I)>	23	3.68
Completeness [%]	99.9
Redundancy	10.5	8.5
CC(1/2)	0.987	0.927

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