7ELT

Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Trp-AMP

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	2018-05-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 65 2 2
Unit cell lengths	61.405, 61.405, 334.947
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.010 - 1.900
R-factor	0.1971
Rwork	0.195
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7el8
RMSD bond length	0.009
RMSD bond angle	1.067
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	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.139	0.641
Number of reflections	30917	1486
<I/σ(I)>	24.1	4.6
Completeness [%]	99.6	98.5
Redundancy	15.6	16.4
CC(1/2)	1.000	0.967

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