8H27

Crystal structure of MnmM from S. aureus complexed with SAM (2.04 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 43
Unit cell lengths	114.015, 114.015, 67.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.460 - 2.040
R-factor	0.19058
Rwork	0.189
R-free	0.22359
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold model (UniProt: Q2FXG9)
RMSD bond length	0.010
RMSD bond angle	1.313
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]	43.460	2.230
High resolution limit [Å]	2.040	2.040
Rmerge	0.108	2.271
Rmeas	0.112	2.353
Rpim	0.030	0.615
Number of reflections	46406	4642
<I/σ(I)>	17.8	1.4
Completeness [%]	84.6	36.4
Redundancy	13.9	14.6
CC(1/2)	0.999	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 6.5, and 25% w/v PEG3350