7NTY

Crystal Structure of Neisseria gonorrhoeae LeuRS L550A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980118
Spacegroup name	P 21 21 21
Unit cell lengths	49.072, 81.680, 226.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.740 - 2.390
R-factor	0.1983
Rwork	0.196
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q89
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.850	76.850	2.490
High resolution limit [Å]	2.370	7.480	2.370
Rmerge	0.135	0.044	1.364
Rmeas	0.141	0.046	1.420
Rpim	0.039	0.013	0.389
Total number of observations	500026	16611	71808
Number of reflections	38322	1381	5476
<I/σ(I)>	14.6	42	1.9
Completeness [%]	100.0	99.9	100
Redundancy	13	12	13.1
CC(1/2)	0.999	0.999	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Holo protein at 10 mg/mL in 10 mM Tris pH 7, 100 mM NaCl, 2.5 mM 2-mercaptoethanol was mixed with 0.1 M bis-tris propane pH 8.0, 0.1 M MgCl2, 20% (w/v) PEG 3350 and a crystal seed stock in a 0.75:1.0:0.25 (v/v) ratio. The seed stock was prepared in the same crystallization buffer. Suitable crystals were cryo-protected in an equilvalent precipitant solution supplemented with 22% (v/v) ethylene glycol.