9JDN

Crystal structure of alanyl-tRNA synthetase L219M mutant in complex with ATP and L-alanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	78.840, 56.570, 125.630
Unit cell angles	90.00, 102.26, 90.00

Refinement procedure

Resolution	29.894 - 2.180
R-factor	0.203080894009
Rwork	0.201
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.021
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.180	2.180
Number of reflections	56385	5623
<I/σ(I)>	8.9
Completeness [%]	99.1
Redundancy	6.9
CC(1/2)	0.996	0.139

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	16% w/v PEG 3,350, 50 mM citric acid, 50 mM bis-tris propane pH 5.0