8H26

Crystal structure of MnmM from S. aureus complexed with SAH (1.50 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	2022-06-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97949
Spacegroup name	P 1
Unit cell lengths	62.329, 69.362, 74.608
Unit cell angles	91.25, 112.97, 114.05

Refinement procedure

Resolution	67.090 - 1.500
R-factor	0.18451
Rwork	0.183
R-free	0.21855
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold model (UniProt: Q2FXG9)
RMSD bond length	0.014
RMSD bond angle	1.652
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]	67.090	1.680
High resolution limit [Å]	1.500	1.500
Rmerge	0.069	1.285
Rmeas	0.074	1.382
Rpim	0.028	0.507
Number of reflections	104221	5203
<I/σ(I)>	14.7	1.7
Completeness [%]	92.7	72.3
Redundancy	7.3	7.4
CC(1/2)	0.999	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M BIS-TRIS pH 6.5 and 25% w/v PEG3350