6AO8

Crystal structure of arginyl-tRNA_synthetase from Neisseria gonorrhoeae in complex with arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	53.900, 93.470, 78.570
Unit cell angles	90.00, 108.07, 90.00

Refinement procedure

Resolution	34.182 - 1.700
R-factor	0.1627
Rwork	0.162
R-free	0.18390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4OBY in 3 domains as suggested by MORDA
RMSD bond length	0.010
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.182	50.000	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.030	0.018	0.513
Rmeas	0.035	0.021	0.599
Number of reflections	81144	925	6023
<I/σ(I)>	22.92	61.26	2.38
Completeness [%]	99.7	97	99.8
Redundancy	3.777	3.431	3.768
CC(1/2)	1.000	0.999	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	20 mg/mL NegoA.00164.a.B1.PS38233 against Microlytic MCSG1 G6 (0.1 M sodium acetate/hydrochloric acid, pH 4.5, 25% w/v PEG3350) + 2 mM magnesium chloride, 2 mM AMPPNP, 2 mM arginine, Tray 290716 G6, puck PRP0-2