6WQT

Xanthomonas citri Methionyl-tRNA synthetase in complex with REP3123

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	2017-11-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4586
Spacegroup name	P 21 21 21
Unit cell lengths	76.335, 84.478, 96.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.240 - 1.650
R-factor	0.2039
Rwork	0.202
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wq6
RMSD bond length	0.009
RMSD bond angle	1.546
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.240	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.067	2.315
Rmeas	0.073	2.633
Rpim	0.029	1.222
Number of reflections	74214	2797
<I/σ(I)>	12.7
Completeness [%]	98.3	76
Redundancy	6.1	4.2
CC(1/2)	0.999	0.459

Crystallization Conditions

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