6B1P

Crystal Structure of Glutamate-tRNA Synthetase from Helicobacter pylori

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 21 21 21
Unit cell lengths	203.050, 44.600, 54.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.562 - 2.500
R-factor	0.2386
Rwork	0.234
R-free	0.28090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ja2
RMSD bond length	0.003
RMSD bond angle	0.502
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.562	43.562	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.069	0.058	0.526
Rmeas	0.076	0.066	0.575
Total number of observations	103691
Number of reflections	17766	228	1263
<I/σ(I)>	15.19	27.51	3.18
Completeness [%]	99.8	93.8	100
Redundancy	5.836	4.364	6.146
CC(1/2)	0.997	0.996	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.1	290	HepyC.01187.a.B1.PW38242 at 20.6 mg/ml was mixed 1:1 with JCSG+ (a3): 0.2 M ammonium citrate dibasic, 20% (w/v) PEG-3350, cryoprotected with 15% ethylene glycol. Tray: 291377a3, puck: ben7-8.