7WQ0

Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-01
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97914
Spacegroup name	P 21 21 21
Unit cell lengths	59.276, 72.716, 118.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.020 - 2.090
R-factor	0.2145
Rwork	0.213
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wpk
RMSD bond length	0.002
RMSD bond angle	1.183
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.020	2.150
High resolution limit [Å]	2.090	2.090
Rmerge	0.153	0.508
Rmeas	0.167	0.557
Rpim	0.065	0.225
Number of reflections	30973	2306
<I/σ(I)>	9.4
Completeness [%]	99.7	97
Redundancy	6.5	6
CC(1/2)	0.991	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	300	Sodium cacodylate, PEG 3350