6WQS

Xanthomonas citri Methionyl-tRNA synthetase in complex with REP8839

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4586
Spacegroup name	P 21 21 21
Unit cell lengths	77.161, 84.418, 95.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.960 - 2.000
R-factor	0.2121
Rwork	0.210
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wq6
RMSD bond length	0.018
RMSD bond angle	1.808
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.960	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.099	0.572
Rmeas	0.111	0.643
Rpim	0.048	0.287
Number of reflections	42403	3025
<I/σ(I)>	10.2
Completeness [%]	98.7	96.4
Redundancy	5.1	4.8
CC(1/2)	0.995	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Tris-HCl, PEG3350, MgCl2