9HMJ
Crystal structure of MnmA from Streptococcus pneumoniae in complex with ATP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 94.992, 94.992, 159.095 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.910 - 1.900 |
| R-factor | 0.1724 |
| Rwork | 0.171 |
| R-free | 0.19760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.868 |
| Data reduction software | XDS (Jun 30, 2024) |
| Data scaling software | STARANISO (2.4.16) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.912 | 19.912 | 2.122 |
| High resolution limit [Å] | 1.900 | 5.980 | 1.902 |
| Rmerge | 0.130 | 0.045 | 2.101 |
| Rmeas | 0.134 | 0.047 | 2.159 |
| Rpim | 0.029 | 0.011 | 0.492 |
| Total number of observations | 42305 | 42477 | |
| Number of reflections | 44516 | 2226 | 2226 |
| <I/σ(I)> | 17.48 | 55.41 | 1.66 |
| Completeness [%] | 95.4 | 100 | 73.3 |
| Completeness (spherical) [%] | 100.0 | 12.3 | |
| Completeness (ellipsoidal) [%] | 100.0 | 73.3 | |
| Redundancy | 20.42 | 19 | 19.08 |
| CC(1/2) | 0.999 | 1.000 | 0.574 |
| Anomalous completeness (spherical) | 100.0 | 11.3 | |
| Anomalous completeness | 100.0 | 73.2 | |
| Anomalous redundancy | 10.7 | 10.2 | |
| CC(ano) | -0.139 | -0.005 | |
| |DANO|/σ(DANO) | 0.7 | 0.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 2M ammonium sulfate, 5% w/v PEG 400, 0.1M MES pH 6.5 |
