5ZY9

Structural basis for a tRNA synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	105.212, 109.633, 133.766
Unit cell angles	90.00, 99.46, 90.00

Refinement procedure

Resolution	50.000 - 2.500
Rwork	0.167
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p3n
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.154	0.586
Rpim	0.063	0.245
Number of reflections	51857	2618
<I/σ(I)>	13.6	2.33
Completeness [%]	99.9	100
Redundancy	6.9	6.7
CC(1/2)		0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	290	20% (w/v) PEG 3350, 100 mM Sodium cacodylate/Hydrochloric acid pH 6.4, 200 mM Magnesium chloride