6UJD

Crystal structure of Cysteine-tRNA ligase from Elizabethkingia sp.

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	2019-08-08
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	78.260, 78.260, 208.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.460 - 2.600
R-factor	0.1798
Rwork	0.175
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1li5-A as per Morda
RMSD bond length	0.004
RMSD bond angle	0.623
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.17rc2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.042	0.023	0.546
Rmeas	0.045	0.025	0.583
Number of reflections	20872	292	1490
<I/σ(I)>	29.87	61.84	3.69
Completeness [%]	99.9	93.6	100
Redundancy	7.936	5.606	8.17
CC(1/2)	1.000	0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	290	Anatrace MCSG-1 screen, condition A3: 10% (w/V) PEG 8000, 200mM sodium chloride, 100mM sodium phosphate dibasic / potassium phosphate monobasic pH 6.2: ElmeA.00133.a.B1.PS385583 at 8.47 mg/ml: cryo: 25% EG in 2 steps: tray 310561 a3: puck kzn9-2.