6VU9

Crystal structure of threonyl-tRNA synthetase (ThrRS) from Stenotrophomonas maltophilia K279a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	123.070, 163.930, 76.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.800 - 2.200
R-factor	0.192
Rwork	0.190
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hta
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.800	39.800	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.039	0.021	0.599
Rmeas	0.042	0.023	0.638
Total number of observations	327591
Number of reflections	39658	491	2876
<I/σ(I)>	28.45	75.61	2.95
Completeness [%]	99.6	95.9	99.3
Redundancy	8.26	6.466	8.427
CC(1/2)	1.000	0.999	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	287	StmaA.00156.a.B1.PW38695 at mg/mL against MCSG1 screen condition C8: 0.2 sodium sulfate, 0.1 M sodium citrate pH 5.6, 20% PEG 4000 supplemented with 15% ethylene glycol as cryoprotectant, unique puck ID ygn6-7, crystal ID 312751c8