7EL8

Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase

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	2019-01-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 65 2 2
Unit cell lengths	61.683, 61.683, 334.105
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.160 - 2.100
R-factor	0.2162
Rwork	0.215
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dk4
RMSD bond length	0.009
RMSD bond angle	0.977
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
Rmerge	0.129	0.964
Number of reflections	23425	1133
<I/σ(I)>	5	6.75
Completeness [%]	100.0	100
Redundancy	36.6	38.3
CC(1/2)	0.912	0.975

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