7WPX

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	60.888, 71.376, 120.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.450 - 2.400
R-factor	0.2142
Rwork	0.213
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wpk
RMSD bond length	0.007
RMSD bond angle	1.148
Data reduction software	autoPROC
Data scaling software	Aimless (0.5.29)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.820	120.820	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.113	0.054	0.613
Rmeas	0.124	0.059	0.674
Rpim	0.050	0.025	0.278
Total number of observations	127386	2460	12369
Number of reflections	21257	475	2174
<I/σ(I)>	13.1	26.8	4.6
Completeness [%]	99.9	99.1	100
Redundancy	6	5.2	5.7
CC(1/2)	0.997	0.997	0.845

Crystallization Conditions

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