6PQH

Crystal structure of Asparagine-tRNA ligase from Elizabethkingia sp. CCUG 26117

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	2018-06-28
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	67.400, 110.750, 137.180
Unit cell angles	90.00, 97.09, 90.00

Refinement procedure

Resolution	35.567 - 2.000
R-factor	0.1814
Rwork	0.181
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MR-Rosetta model
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_3500)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.567	35.567	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.062	0.018	0.575
Rmeas	0.071	0.021	0.659
Total number of observations	570031
Number of reflections	134701	1555	10023
<I/σ(I)>	14.98	41.42	2.55
Completeness [%]	99.9	98	99.9
Redundancy	4.232	3.874	4.236
CC(1/2)	0.999	0.999	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Rigaku Reagents JCSG+ screen, condition a9: 200mM ammonium chloride, 20% (w/V) PEG 3350: ElmeA.00825.a.B1.PW38356 at 24.45mg/ml: grown at 14C: cryo: 20% EG: tray 295595 a9: puck ipi5-9.