6N0W

Crystal structure of a Tyrosine--tRNA ligase from Elizabethkingia anophelis

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	2017-08-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	197.290, 37.560, 81.760
Unit cell angles	90.00, 112.40, 90.00

Refinement procedure

Resolution	47.957 - 2.700
R-factor	0.2325
Rwork	0.226
R-free	0.29030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ts1
RMSD bond length	0.005
RMSD bond angle	0.742
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.957	47.957	2.770
High resolution limit [Å]	2.700	12.080	2.700
Rmerge	0.053	0.017	0.669
Rmeas	0.060	0.020	0.746
Number of reflections	15648	194	1120
<I/σ(I)>	20.16	54.8	2.63
Completeness [%]	99.6	91.9	100
Redundancy	4.926	3.897	5.08
CC(1/2)	0.999	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	ElanA.01032.a.B1.PW38270 at 26 mg/mL against the Morpheus screen condition D9: 10% PEG 20,000, 20% PEG 550 MME, 0.02 M each alcohol (1,6-hexanediol, 1-butanol, R,S-1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-propanediol), 0.1 M bicine/Trizma base pH 8.5, unique puck ID xyo1-1, crystal tracking ID 292624d9