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 |