8H1A

Crystal structure of MnmM from S. aureus in apo state (1.44 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)	0.97965
Spacegroup name	P 21 21 21
Unit cell lengths	50.494, 63.910, 135.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.340 - 1.440
R-factor	0.15394
Rwork	0.152
R-free	0.19218
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold model (UniProt: Q2FXG9)
RMSD bond length	0.013
RMSD bond angle	1.482
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]	47.340	1.540
High resolution limit [Å]	1.440	1.440
Rmerge	0.073	1.955
Rmeas	0.076	2.025
Rpim	0.021	0.525
Number of reflections	67371	3369
<I/σ(I)>	17.1	1.5
Completeness [%]	95.5	66.5
Redundancy	13.3	14.8
CC(1/2)	0.999	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium acetate trihydrate, 0.1 M Tris-HCl, pH 8.5, 30% w/v PEG4000