8H1B

Crystal structure of MnmM from S. aureus complexed with SAM and tRNA anti-codon stem loop (ASL) (1.55 A)

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	2022-04-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	60.436, 71.494, 67.267
Unit cell angles	90.00, 111.60, 90.00

Refinement procedure

Resolution	47.120 - 1.550
R-factor	0.1758
Rwork	0.174
R-free	0.20433
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold model (UniProt: Q2FXG9)
RMSD bond length	0.011
RMSD bond angle	1.520
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	STARANISO
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.120	1.660
High resolution limit [Å]	1.550	1.550
Rmerge	0.088	1.421
Rmeas	0.095	1.531
Rpim	0.035	0.566
Number of reflections	65003	4063
<I/σ(I)>	11.8	1.4
Completeness [%]	84.6	29.6
Redundancy	7.2	7.2
CC(1/2)	0.998	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate, pH 6.5, 20% w/v PEG8000